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

C11H12N6OS — CID 103507784

IUPAC3-amino-4-cyano-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide
SMILESCn1cc(CNc2sc(C(N)=O)c(N)c2C#N)cn1
InChIInChI=1S/C11H12N6OS/c1-17-5-6(4-16-17)3-15-11-7(2-12)8(13)9(19-11)10(14)18/h4-5,15H,3,13H2,1H3,(H2,14,18)
InChIKeyZTVCSJXHHFDQOK-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.65
Rot. Bonds4

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

3-amino-4-cyano-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide (PubChem CID 103507784) has the molecular formula C11H12N6OS and a molecular weight of 276.33 g/mol. Its IUPAC name is 3-amino-4-cyano-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide
PubChem CID103507784
Molecular FormulaC11H12N6OS
Molecular Weight276.33 g/mol
Exact Mass276.08
IUPAC Name3-amino-4-cyano-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide
SMILESCn1cc(CNc2sc(C(N)=O)c(N)c2C#N)cn1
InChIInChI=1S/C11H12N6OS/c1-17-5-6(4-16-17)3-15-11-7(2-12)8(13)9(19-11)10(14)18/h4-5,15H,3,13H2,1H3,(H2,14,18)
InChIKeyZTVCSJXHHFDQOK-UHFFFAOYSA-N
XLogP0.65
TPSA122.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-5-[(1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylthiophene-2-carboxamide
CID 103507837
3-amino-4-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2,4-dicarboxamide
CID 103507826
methyl 3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate
CID 103507781
3-amino-4-cyano-5-[(2-methylphenyl)methylamino]thiophene-2-carboxamide
CID 103432089
3-amino-4-ethylsulfonyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carbonitrile
CID 103507833
methyl 3-amino-4-cyano-5-[(1,3-dimethylpyrazol-4-yl)methylamino]thiophene-2-carboxylate
CID 103506199
3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carbonitrile
CID 103507777
3-amino-5-(butylamino)-4-cyanothiophene-2-carboxamide
CID 103425232
5-acetyl-4-amino-2-[(4-methylphenyl)methylamino]thiophene-3-carbonitrile
CID 103426327
3-amino-5-(benzylamino)-4-cyano-N-ethylthiophene-2-carboxamide
CID 103424930
3-amino-4-cyano-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide
CID 103508485
3-amino-4-cyano-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide
CID 107416225

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide (CID 103507784) is 3-amino-4-cyano-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide is Cn1cc(CNc2sc(C(N)=O)c(N)c2C#N)cn1.
What is the InChIKey of 3-amino-4-cyano-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide?
The InChIKey is ZTVCSJXHHFDQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6OS/c1-17-5-6(4-16-17)3-15-11-7(2-12)8(13)9(19-11)10(14)18/h4-5,15H,3,13H2,1H3,(H2,14,18).
What are the key properties of 3-amino-4-cyano-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide?
3-amino-4-cyano-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide has a molecular weight of 276.33 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyano-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide is sourced from PubChem (CID 103507784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).