2-[[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid

C13H16N4O3S — CID 119245279

IUPAC2-[[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)c1cc(C(=O)NCc2nc(C(=O)O)cs2)nn1C
InChIInChI=1S/C13H16N4O3S/c1-7(2)10-4-8(16-17(10)3)12(18)14-5-11-15-9(6-21-11)13(19)20/h4,6-7H,5H2,1-3H3,(H,14,18)(H,19,20)
InChIKeyWGIRDYGRKNJXAC-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.63
Rot. Bonds5

About 2-[[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid

2-[[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 119245279) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-[[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID119245279
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name2-[[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)c1cc(C(=O)NCc2nc(C(=O)O)cs2)nn1C
InChIInChI=1S/C13H16N4O3S/c1-7(2)10-4-8(16-17(10)3)12(18)14-5-11-15-9(6-21-11)13(19)20/h4,6-7H,5H2,1-3H3,(H,14,18)(H,19,20)
InChIKeyWGIRDYGRKNJXAC-UHFFFAOYSA-N
XLogP1.63
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

5-[[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110541
2-[[(2-methylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379887
2-[[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245066
2-[(2-methylbutanoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379680
2-[(2,3-dimethylbutanoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380846
1-methyl-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 120828370
1-methyl-N-[2-(methylamino)ethyl]-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
CID 119501561
2-[[(2,5-dimethylthiophene-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380470
1-methyl-5-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 110674204
2-[[(4-methylpiperazine-1-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379762
2-[(naphthalene-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 166178694
2-[[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 120527072

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid (CID 119245279) is 2-[[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid is CC(C)c1cc(C(=O)NCc2nc(C(=O)O)cs2)nn1C.
What is the InChIKey of 2-[[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is WGIRDYGRKNJXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-7(2)10-4-8(16-17(10)3)12(18)14-5-11-15-9(6-21-11)13(19)20/h4,6-7H,5H2,1-3H3,(H,14,18)(H,19,20).
What are the key properties of 2-[[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 308.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 119245279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).