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

C10H10N4O3S — CID 66379887

IUPAC2-[[(2-methylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCn1nccc1C(=O)NCc1nc(C(=O)O)cs1
InChIInChI=1S/C10H10N4O3S/c1-14-7(2-3-12-14)9(15)11-4-8-13-6(5-18-8)10(16)17/h2-3,5H,4H2,1H3,(H,11,15)(H,16,17)
InChIKeyGGSOVONZPMEZCP-UHFFFAOYSA-N
MW266.28 g/mol
LogP0.50
Rot. Bonds4

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

2-[[(2-methylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66379887) has the molecular formula C10H10N4O3S and a molecular weight of 266.28 g/mol. Its IUPAC name is 2-[[(2-methylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-methylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66379887
Molecular FormulaC10H10N4O3S
Molecular Weight266.28 g/mol
Exact Mass266.05
IUPAC Name2-[[(2-methylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCn1nccc1C(=O)NCc1nc(C(=O)O)cs1
InChIInChI=1S/C10H10N4O3S/c1-14-7(2-3-12-14)9(15)11-4-8-13-6(5-18-8)10(16)17/h2-3,5H,4H2,1H3,(H,11,15)(H,16,17)
InChIKeyGGSOVONZPMEZCP-UHFFFAOYSA-N
XLogP0.50
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 131931773
2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide
CID 110467157
2-[[(4-methylpiperazine-1-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379762
2-[[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245279
N-[(4-bromothiophen-2-yl)methyl]-2-methylpyrazole-3-carboxamide
CID 62299080
2-[[(3-methylfuran-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379894
2-[[(3-methylpyridine-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379682
2-[(1H-1,2,4-triazole-5-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380836
2-[[(5-ethyl-1,3-oxazole-4-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245115
2-[[(3-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380639
2-[[(4-propan-2-ylsulfonylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244921
2-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazole-3-carboxamide
CID 106385466

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[(2-methylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid (CID 66379887) is 2-[[(2-methylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[(2-methylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[(2-methylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid is Cn1nccc1C(=O)NCc1nc(C(=O)O)cs1.
What is the InChIKey of 2-[[(2-methylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is GGSOVONZPMEZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S/c1-14-7(2-3-12-14)9(15)11-4-8-13-6(5-18-8)10(16)17/h2-3,5H,4H2,1H3,(H,11,15)(H,16,17).
What are the key properties of 2-[[(2-methylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[(2-methylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 266.28 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66379887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).