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

C13H18N4OS — CID 103526118

IUPAC3-amino-4-cyano-5-[(2-methylcyclopropyl)amino]-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(NC2CC2C)c(C#N)c1N
InChIInChI=1S/C13H18N4OS/c1-3-4-16-12(18)11-10(15)8(6-14)13(19-11)17-9-5-7(9)2/h7,9,17H,3-5,15H2,1-2H3,(H,16,18)
InChIKeyMIXLPSIEAHFGFF-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.16
Rot. Bonds5

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

3-amino-4-cyano-5-[(2-methylcyclopropyl)amino]-N-propylthiophene-2-carboxamide (PubChem CID 103526118) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-amino-4-cyano-5-[(2-methylcyclopropyl)amino]-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-5-[(2-methylcyclopropyl)amino]-N-propylthiophene-2-carboxamide
PubChem CID103526118
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name3-amino-4-cyano-5-[(2-methylcyclopropyl)amino]-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(NC2CC2C)c(C#N)c1N
InChIInChI=1S/C13H18N4OS/c1-3-4-16-12(18)11-10(15)8(6-14)13(19-11)17-9-5-7(9)2/h7,9,17H,3-5,15H2,1-2H3,(H,16,18)
InChIKeyMIXLPSIEAHFGFF-UHFFFAOYSA-N
XLogP2.16
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-cyano-N-ethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
CID 103526086
3-amino-4-cyano-5-(3,4-dimethylpyrrolidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103506708
3-amino-4-cyano-5-(1-cyclopropylethylamino)-N-propylthiophene-2-carboxamide
CID 103427568
5-acetyl-4-amino-2-[(2-propylcyclopropyl)amino]thiophene-3-carbonitrile
CID 114112769
3-amino-4-cyano-N-ethyl-5-(piperidin-4-ylamino)thiophene-2-carboxamide
CID 103525501
3-amino-5-(butylamino)-4-cyano-N-ethylthiophene-2-carboxamide
CID 103425201
3-amino-4-cyano-5-(3-methylpiperidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103419483
3-amino-4-cyano-N,N-dimethyl-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxamide
CID 103426595
3-amino-4-cyano-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103542443
3-amino-5-(butylamino)-4-cyano-N-methylthiophene-2-carboxamide
CID 103425215
4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carbonitrile
CID 103424692
3-amino-5-(cyclopentylamino)-2-N-propylthiophene-2,4-dicarboxamide
CID 103423956

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-5-[(2-methylcyclopropyl)amino]-N-propylthiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-5-[(2-methylcyclopropyl)amino]-N-propylthiophene-2-carboxamide (CID 103526118) is 3-amino-4-cyano-5-[(2-methylcyclopropyl)amino]-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-5-[(2-methylcyclopropyl)amino]-N-propylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-5-[(2-methylcyclopropyl)amino]-N-propylthiophene-2-carboxamide is CCCNC(=O)c1sc(NC2CC2C)c(C#N)c1N.
What is the InChIKey of 3-amino-4-cyano-5-[(2-methylcyclopropyl)amino]-N-propylthiophene-2-carboxamide?
The InChIKey is MIXLPSIEAHFGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-3-4-16-12(18)11-10(15)8(6-14)13(19-11)17-9-5-7(9)2/h7,9,17H,3-5,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-4-cyano-5-[(2-methylcyclopropyl)amino]-N-propylthiophene-2-carboxamide?
3-amino-4-cyano-5-[(2-methylcyclopropyl)amino]-N-propylthiophene-2-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyano-5-[(2-methylcyclopropyl)amino]-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 103526118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).