4-amino-5-cyano-2-[(1,3-dimethylpyrazol-4-yl)methylamino]thiophene-3-carboxamide

C12H14N6OS — CID 103506195

IUPAC4-amino-5-cyano-2-[(1,3-dimethylpyrazol-4-yl)methylamino]thiophene-3-carboxamide
SMILESCc1nn(C)cc1CNc1sc(C#N)c(N)c1C(N)=O
InChIInChI=1S/C12H14N6OS/c1-6-7(5-18(2)17-6)4-16-12-9(11(15)19)10(14)8(3-13)20-12/h5,16H,4,14H2,1-2H3,(H2,15,19)
InChIKeyQPHSHEMUMUIDCG-UHFFFAOYSA-N
MW290.35 g/mol
LogP0.95
Rot. Bonds4

About 4-amino-5-cyano-2-[(1,3-dimethylpyrazol-4-yl)methylamino]thiophene-3-carboxamide

4-amino-5-cyano-2-[(1,3-dimethylpyrazol-4-yl)methylamino]thiophene-3-carboxamide (PubChem CID 103506195) has the molecular formula C12H14N6OS and a molecular weight of 290.35 g/mol. Its IUPAC name is 4-amino-5-cyano-2-[(1,3-dimethylpyrazol-4-yl)methylamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-2-[(1,3-dimethylpyrazol-4-yl)methylamino]thiophene-3-carboxamide
PubChem CID103506195
Molecular FormulaC12H14N6OS
Molecular Weight290.35 g/mol
Exact Mass290.09
IUPAC Name4-amino-5-cyano-2-[(1,3-dimethylpyrazol-4-yl)methylamino]thiophene-3-carboxamide
SMILESCc1nn(C)cc1CNc1sc(C#N)c(N)c1C(N)=O
InChIInChI=1S/C12H14N6OS/c1-6-7(5-18(2)17-6)4-16-12-9(11(15)19)10(14)8(3-13)20-12/h5,16H,4,14H2,1-2H3,(H2,15,19)
InChIKeyQPHSHEMUMUIDCG-UHFFFAOYSA-N
XLogP0.95
TPSA122.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-amino-4-cyano-5-[(1,3-dimethylpyrazol-4-yl)methylamino]thiophene-2-carboxylate
CID 103506199
4-amino-5-cyano-2-(pyridin-3-ylmethylamino)thiophene-3-carboxamide
CID 103426614
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide
CID 83089472
5-amino-2-[(1,3-dimethylpyrazol-4-yl)methylamino]benzonitrile
CID 112668289
5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
CID 103365158
5-amino-2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
CID 112668337
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutanamide
CID 112738020
2-amino-5-[(1,3-dimethylpyrazol-4-yl)methylamino]benzonitrile
CID 112668286
4-amino-5-cyano-2-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-3-carboxamide
CID 106044889
(1,3-dimethylpyrazol-4-yl)methylcyanamide
CID 112669054
4-amino-5-cyano-2-(cyclobutylamino)thiophene-3-carboxamide
CID 103525923

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-2-[(1,3-dimethylpyrazol-4-yl)methylamino]thiophene-3-carboxamide?
The IUPAC name of 4-amino-5-cyano-2-[(1,3-dimethylpyrazol-4-yl)methylamino]thiophene-3-carboxamide (CID 103506195) is 4-amino-5-cyano-2-[(1,3-dimethylpyrazol-4-yl)methylamino]thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-2-[(1,3-dimethylpyrazol-4-yl)methylamino]thiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-cyano-2-[(1,3-dimethylpyrazol-4-yl)methylamino]thiophene-3-carboxamide is Cc1nn(C)cc1CNc1sc(C#N)c(N)c1C(N)=O.
What is the InChIKey of 4-amino-5-cyano-2-[(1,3-dimethylpyrazol-4-yl)methylamino]thiophene-3-carboxamide?
The InChIKey is QPHSHEMUMUIDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6OS/c1-6-7(5-18(2)17-6)4-16-12-9(11(15)19)10(14)8(3-13)20-12/h5,16H,4,14H2,1-2H3,(H2,15,19).
What are the key properties of 4-amino-5-cyano-2-[(1,3-dimethylpyrazol-4-yl)methylamino]thiophene-3-carboxamide?
4-amino-5-cyano-2-[(1,3-dimethylpyrazol-4-yl)methylamino]thiophene-3-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyano-2-[(1,3-dimethylpyrazol-4-yl)methylamino]thiophene-3-carboxamide is sourced from PubChem (CID 103506195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).