3-amino-4-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2,4-dicarboxamide

C12H16N6O2S — CID 103507826

IUPAC3-amino-4-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2,4-dicarboxamide
SMILESCNC(=O)c1c(NCc2cnn(C)c2)sc(C(N)=O)c1N
InChIInChI=1S/C12H16N6O2S/c1-15-11(20)7-8(13)9(10(14)19)21-12(7)16-3-6-4-17-18(2)5-6/h4-5,16H,3,13H2,1-2H3,(H2,14,19)(H,15,20)
InChIKeySUAMLVHHHYHGNP-UHFFFAOYSA-N
MW308.37 g/mol
LogP0.13
Rot. Bonds5

About 3-amino-4-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2,4-dicarboxamide

3-amino-4-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2,4-dicarboxamide (PubChem CID 103507826) has the molecular formula C12H16N6O2S and a molecular weight of 308.37 g/mol. Its IUPAC name is 3-amino-4-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-4-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2,4-dicarboxamide
PubChem CID103507826
Molecular FormulaC12H16N6O2S
Molecular Weight308.37 g/mol
Exact Mass308.11
IUPAC Name3-amino-4-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2,4-dicarboxamide
SMILESCNC(=O)c1c(NCc2cnn(C)c2)sc(C(N)=O)c1N
InChIInChI=1S/C12H16N6O2S/c1-15-11(20)7-8(13)9(10(14)19)21-12(7)16-3-6-4-17-18(2)5-6/h4-5,16H,3,13H2,1-2H3,(H2,14,19)(H,15,20)
InChIKeySUAMLVHHHYHGNP-UHFFFAOYSA-N
XLogP0.13
TPSA128.06 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-4-cyano-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide
CID 103507784
3-amino-5-[(1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylthiophene-2-carboxamide
CID 103507837
3-amino-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide
CID 103507791
methyl 3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate
CID 103507781
3-amino-2-N,4-N-dimethyl-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxamide
CID 103427267
3-amino-N-methyl-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxamide
CID 103380614
5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 64915771
1-methyl-3-[(1-methylpyrazol-4-yl)methylamino]pyrazole-5-carboxamide
CID 122166473
ethyl 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate
CID 103507819
2-chloro-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 54865176
N,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43734492
3-amino-4-N-methyl-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarboxamide
CID 103419370

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-4-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2,4-dicarboxamide (CID 103507826) is 3-amino-4-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-4-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-4-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2,4-dicarboxamide is CNC(=O)c1c(NCc2cnn(C)c2)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-4-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2,4-dicarboxamide?
The InChIKey is SUAMLVHHHYHGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2S/c1-15-11(20)7-8(13)9(10(14)19)21-12(7)16-3-6-4-17-18(2)5-6/h4-5,16H,3,13H2,1-2H3,(H2,14,19)(H,15,20).
What are the key properties of 3-amino-4-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2,4-dicarboxamide?
3-amino-4-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2,4-dicarboxamide has a molecular weight of 308.37 g/mol, XLogP of 0.13, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2,4-dicarboxamide is sourced from PubChem (CID 103507826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).