1-(2-aminoethyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)imidazole-4-carboxamide

C14H15N5OS — CID 107497766

IUPAC1-(2-aminoethyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)imidazole-4-carboxamide
SMILESN#Cc1c(NC(=O)c2cn(CCN)cn2)sc2c1CCC2
InChIInChI=1S/C14H15N5OS/c15-4-5-19-7-11(17-8-19)13(20)18-14-10(6-16)9-2-1-3-12(9)21-14/h7-8H,1-5,15H2,(H,18,20)
InChIKeyBEZMMVSOPPMMQH-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.52
Rot. Bonds4

About 1-(2-aminoethyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)imidazole-4-carboxamide (PubChem CID 107497766) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)imidazole-4-carboxamide
PubChem CID107497766
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name1-(2-aminoethyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)imidazole-4-carboxamide
SMILESN#Cc1c(NC(=O)c2cn(CCN)cn2)sc2c1CCC2
InChIInChI=1S/C14H15N5OS/c15-4-5-19-7-11(17-8-19)13(20)18-14-10(6-16)9-2-1-3-12(9)21-14/h7-8H,1-5,15H2,(H,18,20)
InChIKeyBEZMMVSOPPMMQH-UHFFFAOYSA-N
XLogP1.52
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-aminoethyl)-N-(3-cyanothiophen-2-yl)imidazole-4-carboxamide
CID 107497756
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 71944738
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-ethylpyrazole-3-carboxamide
CID 841817
N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-1-methyl-4-nitropyrazole-3-carboxamide
CID 999051
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474791
4-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-2-carboxamide
CID 60656530
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 61258931
1-N,4-N-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,4-dicarboxamide
CID 2452546
4-amino-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
CID 61116925
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-nitroimidazol-1-yl)acetamide
CID 39030507
3,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
CID 674018
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,5-thiadiazole-3-carboxamide
CID 167903436

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)imidazole-4-carboxamide (CID 107497766) is 1-(2-aminoethyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)imidazole-4-carboxamide is N#Cc1c(NC(=O)c2cn(CCN)cn2)sc2c1CCC2.
What is the InChIKey of 1-(2-aminoethyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)imidazole-4-carboxamide?
The InChIKey is BEZMMVSOPPMMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c15-4-5-19-7-11(17-8-19)13(20)18-14-10(6-16)9-2-1-3-12(9)21-14/h7-8H,1-5,15H2,(H,18,20).
What are the key properties of 1-(2-aminoethyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)imidazole-4-carboxamide has a molecular weight of 301.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)imidazole-4-carboxamide is sourced from PubChem (CID 107497766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).