3-amino-4-cyano-N-ethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide

C12H16N4OS — CID 103526086

IUPAC3-amino-4-cyano-N-ethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
SMILESCCNC(=O)c1sc(NC2CC2C)c(C#N)c1N
InChIInChI=1S/C12H16N4OS/c1-3-15-11(17)10-9(14)7(5-13)12(18-10)16-8-4-6(8)2/h6,8,16H,3-4,14H2,1-2H3,(H,15,17)
InChIKeyQKAKBEOPJZHWBU-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.77
Rot. Bonds4

About 3-amino-4-cyano-N-ethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide

3-amino-4-cyano-N-ethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide (PubChem CID 103526086) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-amino-4-cyano-N-ethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-N-ethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
PubChem CID103526086
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name3-amino-4-cyano-N-ethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
SMILESCCNC(=O)c1sc(NC2CC2C)c(C#N)c1N
InChIInChI=1S/C12H16N4OS/c1-3-15-11(17)10-9(14)7(5-13)12(18-10)16-8-4-6(8)2/h6,8,16H,3-4,14H2,1-2H3,(H,15,17)
InChIKeyQKAKBEOPJZHWBU-UHFFFAOYSA-N
XLogP1.77
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-cyano-5-[(2-methylcyclopropyl)amino]-N-propylthiophene-2-carboxamide
CID 103526118
3-amino-4-cyano-N-ethyl-5-(piperidin-4-ylamino)thiophene-2-carboxamide
CID 103525501
5-acetyl-4-amino-2-[(2-propylcyclopropyl)amino]thiophene-3-carbonitrile
CID 114112769
3-amino-5-(butylamino)-4-cyano-N-ethylthiophene-2-carboxamide
CID 103425201
3-amino-5-(benzylamino)-4-cyano-N-ethylthiophene-2-carboxamide
CID 103424930
3-amino-4-cyano-5-(3,4-dimethylpyrrolidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103506708
3-amino-4-cyano-N-ethyl-5-(4-hydroxypiperidin-1-yl)thiophene-2-carboxamide
CID 103418581
3-amino-4-cyano-5-(1-cyclopropylethylamino)-N-propylthiophene-2-carboxamide
CID 103427568
3-amino-4-cyano-N-ethyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide
CID 103422052
3-amino-4-cyano-N,N-dimethyl-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxamide
CID 103426595
4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carbonitrile
CID 103424692
dimethyl 3-amino-5-[(2-methylcyclopropyl)amino]thiophene-2,4-dicarboxylate
CID 103526057

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-N-ethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-N-ethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide (CID 103526086) is 3-amino-4-cyano-N-ethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-N-ethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-N-ethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide is CCNC(=O)c1sc(NC2CC2C)c(C#N)c1N.
What is the InChIKey of 3-amino-4-cyano-N-ethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide?
The InChIKey is QKAKBEOPJZHWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-3-15-11(17)10-9(14)7(5-13)12(18-10)16-8-4-6(8)2/h6,8,16H,3-4,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-4-cyano-N-ethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide?
3-amino-4-cyano-N-ethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyano-N-ethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 103526086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).