3-amino-4-cyano-N-ethyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide

C15H22N4OS — CID 103422052

IUPAC3-amino-4-cyano-N-ethyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N2CCCC(C)CC2)c(C#N)c1N
InChIInChI=1S/C15H22N4OS/c1-3-18-14(20)13-12(17)11(9-16)15(21-13)19-7-4-5-10(2)6-8-19/h10H,3-8,17H2,1-2H3,(H,18,20)
InChIKeyNWYLXNDCNSCNMU-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.58
Rot. Bonds3

About 3-amino-4-cyano-N-ethyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide

3-amino-4-cyano-N-ethyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide (PubChem CID 103422052) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 3-amino-4-cyano-N-ethyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-N-ethyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide
PubChem CID103422052
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name3-amino-4-cyano-N-ethyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N2CCCC(C)CC2)c(C#N)c1N
InChIInChI=1S/C15H22N4OS/c1-3-18-14(20)13-12(17)11(9-16)15(21-13)19-7-4-5-10(2)6-8-19/h10H,3-8,17H2,1-2H3,(H,18,20)
InChIKeyNWYLXNDCNSCNMU-UHFFFAOYSA-N
XLogP2.58
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-4-amino-2-(4-methylazepan-1-yl)thiophene-3-carbonitrile
CID 103422082
3-amino-4-cyano-N-ethyl-5-(4-hydroxypiperidin-1-yl)thiophene-2-carboxamide
CID 103418581
3-amino-4-cyano-5-(3-methylpiperidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103419483
3-amino-4-cyano-5-(4-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide
CID 103418830
3-amino-4-cyano-5-(3,4-dimethylpyrrolidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103506708
3-amino-5-(4-aminopiperidin-1-yl)-N-ethyl-4-methoxythiophene-2-carboxamide
CID 103525626
methyl 3-amino-4-cyano-5-(4-ethylpiperidin-1-yl)thiophene-2-carboxylate
CID 103417965
3-amino-5-(azepan-1-yl)-4-cyclopropyl-N-ethylthiophene-2-carboxamide
CID 103419645
ethyl 3-amino-4-cyano-5-piperidin-1-ylthiophene-2-carboxylate
CID 14579843
3-amino-4-cyano-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103542443
ethyl 3-amino-4-methoxy-5-(4-methylazepan-1-yl)thiophene-2-carboxylate
CID 103422055
5-acetyl-4-amino-2-(3-ethylpyrrolidin-1-yl)thiophene-3-carbonitrile
CID 103506125

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-N-ethyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-N-ethyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide (CID 103422052) is 3-amino-4-cyano-N-ethyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-N-ethyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-N-ethyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide is CCNC(=O)c1sc(N2CCCC(C)CC2)c(C#N)c1N.
What is the InChIKey of 3-amino-4-cyano-N-ethyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide?
The InChIKey is NWYLXNDCNSCNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-3-18-14(20)13-12(17)11(9-16)15(21-13)19-7-4-5-10(2)6-8-19/h10H,3-8,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-4-cyano-N-ethyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide?
3-amino-4-cyano-N-ethyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide has a molecular weight of 306.44 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyano-N-ethyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 103422052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).