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

C13H16N4O2S — CID 63916634

IUPAC4-cyclopropyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
SMILESCN(Cc1cnn(C)c1)c1nc(C2CC2)c(C(=O)O)s1
InChIInChI=1S/C13H16N4O2S/c1-16(6-8-5-14-17(2)7-8)13-15-10(9-3-4-9)11(20-13)12(18)19/h5,7,9H,3-4,6H2,1-2H3,(H,18,19)
InChIKeyPYWNXWPFZNRPOE-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.09
Rot. Bonds5

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

4-cyclopropyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 63916634) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-cyclopropyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
PubChem CID63916634
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name4-cyclopropyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
SMILESCN(Cc1cnn(C)c1)c1nc(C2CC2)c(C(=O)O)s1
InChIInChI=1S/C13H16N4O2S/c1-16(6-8-5-14-17(2)7-8)13-15-10(9-3-4-9)11(20-13)12(18)19/h5,7,9H,3-4,6H2,1-2H3,(H,18,19)
InChIKeyPYWNXWPFZNRPOE-UHFFFAOYSA-N
XLogP2.09
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-cyclopropyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-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

5-acetyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid
CID 106697376
4-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 63918570
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 62752778
2-N,4-N-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977033
methyl 5-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 113306967
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 62767914
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62751549
4-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63784679
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62751493
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62702878
2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 61440246

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid (CID 63916634) is 4-cyclopropyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid is CN(Cc1cnn(C)c1)c1nc(C2CC2)c(C(=O)O)s1.
What is the InChIKey of 4-cyclopropyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is PYWNXWPFZNRPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-16(6-8-5-14-17(2)7-8)13-15-10(9-3-4-9)11(20-13)12(18)19/h5,7,9H,3-4,6H2,1-2H3,(H,18,19).
What are the key properties of 4-cyclopropyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63916634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).