4-amino-5-cyano-2-(4-ethylazepan-1-yl)-N-methylthiophene-3-carboxamide

C15H22N4OS — CID 103422590

IUPAC4-amino-5-cyano-2-(4-ethylazepan-1-yl)-N-methylthiophene-3-carboxamide
SMILESCCC1CCCN(c2sc(C#N)c(N)c2C(=O)NC)CC1
InChIInChI=1S/C15H22N4OS/c1-3-10-5-4-7-19(8-6-10)15-12(14(20)18-2)13(17)11(9-16)21-15/h10H,3-8,17H2,1-2H3,(H,18,20)
InChIKeyPFGQWGBVVBSWDF-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.58
Rot. Bonds3

About 4-amino-5-cyano-2-(4-ethylazepan-1-yl)-N-methylthiophene-3-carboxamide

4-amino-5-cyano-2-(4-ethylazepan-1-yl)-N-methylthiophene-3-carboxamide (PubChem CID 103422590) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 4-amino-5-cyano-2-(4-ethylazepan-1-yl)-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-2-(4-ethylazepan-1-yl)-N-methylthiophene-3-carboxamide
PubChem CID103422590
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name4-amino-5-cyano-2-(4-ethylazepan-1-yl)-N-methylthiophene-3-carboxamide
SMILESCCC1CCCN(c2sc(C#N)c(N)c2C(=O)NC)CC1
InChIInChI=1S/C15H22N4OS/c1-3-10-5-4-7-19(8-6-10)15-12(14(20)18-2)13(17)11(9-16)21-15/h10H,3-8,17H2,1-2H3,(H,18,20)
InChIKeyPFGQWGBVVBSWDF-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

4-amino-5-cyano-2-(3,4-dimethylpiperidin-1-yl)-N-methylthiophene-3-carboxamide
CID 103507228
methyl 4-amino-5-cyano-2-(3-ethylpiperidin-1-yl)thiophene-3-carboxylate
CID 103509083
3-amino-5-(4-ethylazepan-1-yl)-4-methoxythiophene-2-carbonitrile
CID 103422587
4-amino-5-cyano-2-[4-[(dimethylamino)methyl]piperidin-1-yl]thiophene-3-carboxamide
CID 103526437
ethyl 4-amino-2-(azepan-1-yl)-5-cyanothiophene-3-carboxylate
CID 103419617
methyl 3-amino-4-cyano-5-(4-ethylpiperidin-1-yl)thiophene-2-carboxylate
CID 103417965
3-amino-5-(4-ethylazepan-1-yl)-1,2-thiazole-4-carbonitrile
CID 103382060
3-amino-4-N-methyl-5-(4-methylazepan-1-yl)thiophene-2,4-dicarboxamide
CID 103422098
1-[3-amino-4-cyclopropyl-5-(4-ethylazepan-1-yl)thiophen-2-yl]ethanone
CID 103422591
methyl 4-amino-5-cyano-2-(4-methyl-1,4-diazepan-1-yl)thiophene-3-carboxylate
CID 103420612
4-amino-5-(cyclopropanecarbonyl)-N-methyl-2-piperidin-1-ylthiophene-3-carboxamide
CID 103419846
4-amino-5-cyano-2-(3-methoxypiperidin-1-yl)thiophene-3-carboxamide
CID 103507608

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-2-(4-ethylazepan-1-yl)-N-methylthiophene-3-carboxamide?
The IUPAC name of 4-amino-5-cyano-2-(4-ethylazepan-1-yl)-N-methylthiophene-3-carboxamide (CID 103422590) is 4-amino-5-cyano-2-(4-ethylazepan-1-yl)-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-2-(4-ethylazepan-1-yl)-N-methylthiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-cyano-2-(4-ethylazepan-1-yl)-N-methylthiophene-3-carboxamide is CCC1CCCN(c2sc(C#N)c(N)c2C(=O)NC)CC1.
What is the InChIKey of 4-amino-5-cyano-2-(4-ethylazepan-1-yl)-N-methylthiophene-3-carboxamide?
The InChIKey is PFGQWGBVVBSWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-3-10-5-4-7-19(8-6-10)15-12(14(20)18-2)13(17)11(9-16)21-15/h10H,3-8,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-5-cyano-2-(4-ethylazepan-1-yl)-N-methylthiophene-3-carboxamide?
4-amino-5-cyano-2-(4-ethylazepan-1-yl)-N-methylthiophene-3-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 4-amino-5-cyano-2-(4-ethylazepan-1-yl)-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 103422590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).