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

C11H15N5OS — CID 103507791

IUPAC3-amino-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide
SMILESCNC(=O)c1sc(NCc2cnn(C)c2)cc1N
InChIInChI=1S/C11H15N5OS/c1-13-11(17)10-8(12)3-9(18-10)14-4-7-5-15-16(2)6-7/h3,5-6,14H,4,12H2,1-2H3,(H,13,17)
InChIKeyISNMFQBEUDSULK-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.04
Rot. Bonds4

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

3-amino-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide (PubChem CID 103507791) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 3-amino-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide
PubChem CID103507791
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name3-amino-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide
SMILESCNC(=O)c1sc(NCc2cnn(C)c2)cc1N
InChIInChI=1S/C11H15N5OS/c1-13-11(17)10-8(12)3-9(18-10)14-4-7-5-15-16(2)6-7/h3,5-6,14H,4,12H2,1-2H3,(H,13,17)
InChIKeyISNMFQBEUDSULK-UHFFFAOYSA-N
XLogP1.04
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-amino-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate
CID 103507819
3-amino-4-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2,4-dicarboxamide
CID 103507826
3-amino-N-methyl-5-[(3-methylphenyl)methylamino]thiophene-2-carboxamide
CID 103432151
2-chloro-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 54865176
3-amino-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-ethylthiophene-2-carboxamide
CID 103506198
1-[2-amino-4-[(1-methylpyrazol-4-yl)methylamino]phenyl]ethanone
CID 104528491
4-amino-N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 63361195
2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 55119886
N,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43734492
3-amino-N-methyl-5-(pentan-3-ylamino)thiophene-2-carboxamide
CID 103424129
[3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone
CID 106044803
3-amino-4-cyano-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide
CID 103507784

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide (CID 103507791) is 3-amino-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide is CNC(=O)c1sc(NCc2cnn(C)c2)cc1N.
What is the InChIKey of 3-amino-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide?
The InChIKey is ISNMFQBEUDSULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-13-11(17)10-8(12)3-9(18-10)14-4-7-5-15-16(2)6-7/h3,5-6,14H,4,12H2,1-2H3,(H,13,17).
What are the key properties of 3-amino-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide?
3-amino-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide is sourced from PubChem (CID 103507791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).