4-amino-5-cyano-2-(cyclopropylamino)-N-methylthiophene-3-carboxamide

C10H12N4OS — CID 103423667

IUPAC4-amino-5-cyano-2-(cyclopropylamino)-N-methylthiophene-3-carboxamide
SMILESCNC(=O)c1c(NC2CC2)sc(C#N)c1N
InChIInChI=1S/C10H12N4OS/c1-13-9(15)7-8(12)6(4-11)16-10(7)14-5-2-3-5/h5,14H,2-3,12H2,1H3,(H,13,15)
InChIKeyWSXIPWLXFNQKSN-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.14
Rot. Bonds3

About 4-amino-5-cyano-2-(cyclopropylamino)-N-methylthiophene-3-carboxamide

4-amino-5-cyano-2-(cyclopropylamino)-N-methylthiophene-3-carboxamide (PubChem CID 103423667) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 4-amino-5-cyano-2-(cyclopropylamino)-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-2-(cyclopropylamino)-N-methylthiophene-3-carboxamide
PubChem CID103423667
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name4-amino-5-cyano-2-(cyclopropylamino)-N-methylthiophene-3-carboxamide
SMILESCNC(=O)c1c(NC2CC2)sc(C#N)c1N
InChIInChI=1S/C10H12N4OS/c1-13-9(15)7-8(12)6(4-11)16-10(7)14-5-2-3-5/h5,14H,2-3,12H2,1H3,(H,13,15)
InChIKeyWSXIPWLXFNQKSN-UHFFFAOYSA-N
XLogP1.14
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-cyano-2-(cyclobutylamino)thiophene-3-carboxamide
CID 103525923
4-amino-5-cyano-2-[(1,1-dioxothian-4-yl)amino]thiophene-3-carboxamide
CID 103428685
ethyl 3-amino-5-(cyclopropylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103423708
4-amino-2-(cyclopropylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide
CID 103423685
3-amino-5-(cyclobutylamino)-2-N-cyclopropyl-4-N-methylthiophene-2,4-dicarboxamide
CID 103525933
4-amino-5-cyano-N-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-3-carboxamide
CID 106219030
4-amino-5-cyano-2-[3-(diethylamino)propylamino]-N-methylthiophene-3-carboxamide
CID 103425944
4-amino-2-(cyclopentylamino)-5-(cyclopropanecarbonyl)-N-methylthiophene-3-carboxamide
CID 103423944
4-amino-5-cyano-2-(3,4-dimethylpiperidin-1-yl)-N-methylthiophene-3-carboxamide
CID 103507228
ethyl 4-amino-5-cyano-2-[(1-methylpyrrolidin-3-yl)amino]thiophene-3-carboxylate
CID 103508027
4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide
CID 103508217
3-amino-5-(cyclopropylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382283

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-2-(cyclopropylamino)-N-methylthiophene-3-carboxamide?
The IUPAC name of 4-amino-5-cyano-2-(cyclopropylamino)-N-methylthiophene-3-carboxamide (CID 103423667) is 4-amino-5-cyano-2-(cyclopropylamino)-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-2-(cyclopropylamino)-N-methylthiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-cyano-2-(cyclopropylamino)-N-methylthiophene-3-carboxamide is CNC(=O)c1c(NC2CC2)sc(C#N)c1N.
What is the InChIKey of 4-amino-5-cyano-2-(cyclopropylamino)-N-methylthiophene-3-carboxamide?
The InChIKey is WSXIPWLXFNQKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-13-9(15)7-8(12)6(4-11)16-10(7)14-5-2-3-5/h5,14H,2-3,12H2,1H3,(H,13,15).
What are the key properties of 4-amino-5-cyano-2-(cyclopropylamino)-N-methylthiophene-3-carboxamide?
4-amino-5-cyano-2-(cyclopropylamino)-N-methylthiophene-3-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyano-2-(cyclopropylamino)-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 103423667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).