A1CDT

N-(2-aminoethyl)thiophene-2-carboxamide

Created:	2025-05-21
Last modified:	2025-11-05

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2 entries where A1CDT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	5

2D diagram of A1CDT

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Chemical Component Summary
Name	N-(2-aminoethyl)thiophene-2-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-(2-azanylethyl)thiophene-2-carboxamide
Formula	C₇ H₁₀ N₂ O S
Molecular Weight	170.232
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=C(NCCN)c1cccs1
SMILES	CACTVS	3.385	NCCNC(=O)c1sccc1
SMILES	OpenEye OEToolkits	3.1.0.0	c1cc(sc1)C(=O)NCCN
Canonical SMILES	CACTVS	3.385	NCCNC(=O)c1sccc1
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1cc(sc1)C(=O)NCCN
InChI	InChI	1.06	InChI=1S/C7H10N2OS/c8-3-4-9-7(10)6-2-1-5-11-6/h1-2,5H,3-4,8H2,(H,9,10)
InChIKey	InChI	1.06	HKAFVQQLGBEDEZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	4649097

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.