5-acetyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid

C12H14N4O3S — CID 106697376

IUPAC5-acetyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(N(C)Cc2cnn(C)c2)nc1C(=O)O
InChIInChI=1S/C12H14N4O3S/c1-7(17)10-9(11(18)19)14-12(20-10)15(2)5-8-4-13-16(3)6-8/h4,6H,5H2,1-3H3,(H,18,19)
InChIKeyCUJFLQBDSWQYAW-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.41
Rot. Bonds5

About 5-acetyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid

5-acetyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 106697376) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 5-acetyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid
PubChem CID106697376
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name5-acetyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(N(C)Cc2cnn(C)c2)nc1C(=O)O
InChIInChI=1S/C12H14N4O3S/c1-7(17)10-9(11(18)19)14-12(20-10)15(2)5-8-4-13-16(3)6-8/h4,6H,5H2,1-3H3,(H,18,19)
InChIKeyCUJFLQBDSWQYAW-UHFFFAOYSA-N
XLogP1.41
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-acetyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyclopropyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 63916634
methyl 5-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 113306967
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 62752778
5-acetyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 106697908
methyl 5-acetyl-2-[(1-methylpyrazol-4-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 106697343
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62751493
ethyl 5-acetyl-2-[(1-methylpyrazol-4-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 107377556
5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 107510180
6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylic acid
CID 61440138
2,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxobut-2-enoic acid
CID 76992644
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62702878
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 62767914

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-acetyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid (CID 106697376) is 5-acetyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-acetyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-acetyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid is CC(=O)c1sc(N(C)Cc2cnn(C)c2)nc1C(=O)O.
What is the InChIKey of 5-acetyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is CUJFLQBDSWQYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-7(17)10-9(11(18)19)14-12(20-10)15(2)5-8-4-13-16(3)6-8/h4,6H,5H2,1-3H3,(H,18,19).
What are the key properties of 5-acetyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid?
5-acetyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 294.34 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106697376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).