3-amino-4-cyano-5-[(2-methylphenyl)methylamino]thiophene-2-carboxamide

C14H14N4OS — CID 103432089

IUPAC3-amino-4-cyano-5-[(2-methylphenyl)methylamino]thiophene-2-carboxamide
SMILESCc1ccccc1CNc1sc(C(N)=O)c(N)c1C#N
InChIInChI=1S/C14H14N4OS/c1-8-4-2-3-5-9(8)7-18-14-10(6-15)11(16)12(20-14)13(17)19/h2-5,18H,7,16H2,1H3,(H2,17,19)
InChIKeyVNXHAHNCNBKOTK-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.22
Rot. Bonds4

About 3-amino-4-cyano-5-[(2-methylphenyl)methylamino]thiophene-2-carboxamide

3-amino-4-cyano-5-[(2-methylphenyl)methylamino]thiophene-2-carboxamide (PubChem CID 103432089) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-amino-4-cyano-5-[(2-methylphenyl)methylamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-5-[(2-methylphenyl)methylamino]thiophene-2-carboxamide
PubChem CID103432089
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name3-amino-4-cyano-5-[(2-methylphenyl)methylamino]thiophene-2-carboxamide
SMILESCc1ccccc1CNc1sc(C(N)=O)c(N)c1C#N
InChIInChI=1S/C14H14N4OS/c1-8-4-2-3-5-9(8)7-18-14-10(6-15)11(16)12(20-14)13(17)19/h2-5,18H,7,16H2,1H3,(H2,17,19)
InChIKeyVNXHAHNCNBKOTK-UHFFFAOYSA-N
XLogP2.22
TPSA104.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(benzylamino)-4-cyano-N-ethylthiophene-2-carboxamide
CID 103424930
3-amino-5-(butylamino)-4-cyanothiophene-2-carboxamide
CID 103425232
3-amino-4-cyano-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide
CID 103507784
5-acetyl-4-amino-2-[(4-methylphenyl)methylamino]thiophene-3-carbonitrile
CID 103426327
1-[3-amino-5-[(2-methylphenyl)methylamino]-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103431839
methyl 3-amino-4-cyano-5-[(1,3-dimethylpyrazol-4-yl)methylamino]thiophene-2-carboxylate
CID 103506199
3-amino-4-cyano-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide
CID 106296507
3-amino-5-[(2-chlorophenyl)methylamino]-4-methylsulfanylthiophene-2-carboxamide
CID 103425470
4-amino-5-propanoyl-2-(pyridin-4-ylmethylamino)thiophene-3-carbonitrile
CID 103426681
3-amino-4-cyano-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide
CID 107416225
3-amino-5-[(2-methylphenyl)methylamino]thiophene-2-carbonitrile
CID 103432110
3-amino-4-cyano-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide
CID 103426278

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-5-[(2-methylphenyl)methylamino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-5-[(2-methylphenyl)methylamino]thiophene-2-carboxamide (CID 103432089) is 3-amino-4-cyano-5-[(2-methylphenyl)methylamino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-5-[(2-methylphenyl)methylamino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-5-[(2-methylphenyl)methylamino]thiophene-2-carboxamide is Cc1ccccc1CNc1sc(C(N)=O)c(N)c1C#N.
What is the InChIKey of 3-amino-4-cyano-5-[(2-methylphenyl)methylamino]thiophene-2-carboxamide?
The InChIKey is VNXHAHNCNBKOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-8-4-2-3-5-9(8)7-18-14-10(6-15)11(16)12(20-14)13(17)19/h2-5,18H,7,16H2,1H3,(H2,17,19).
What are the key properties of 3-amino-4-cyano-5-[(2-methylphenyl)methylamino]thiophene-2-carboxamide?
3-amino-4-cyano-5-[(2-methylphenyl)methylamino]thiophene-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 2.22, 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-5-[(2-methylphenyl)methylamino]thiophene-2-carboxamide is sourced from PubChem (CID 103432089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).