methyl 4-[2-[(2-methylpyrazole-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate

C16H14N4O3S — CID 25284528

IUPACmethyl 4-[2-[(2-methylpyrazole-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate
SMILESCOC(=O)c1ccc(-c2csc(NC(=O)c3ccnn3C)n2)cc1
InChIInChI=1S/C16H14N4O3S/c1-20-13(7-8-17-20)14(21)19-16-18-12(9-24-16)10-3-5-11(6-4-10)15(22)23-2/h3-9H,1-2H3,(H,18,19,21)
InChIKeyKMHLEAZNQMVLHJ-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.58
Rot. Bonds4

About methyl 4-[2-[(2-methylpyrazole-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate

methyl 4-[2-[(2-methylpyrazole-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate (PubChem CID 25284528) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is methyl 4-[2-[(2-methylpyrazole-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[(2-methylpyrazole-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate
PubChem CID25284528
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Namemethyl 4-[2-[(2-methylpyrazole-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate
SMILESCOC(=O)c1ccc(-c2csc(NC(=O)c3ccnn3C)n2)cc1
InChIInChI=1S/C16H14N4O3S/c1-20-13(7-8-17-20)14(21)19-16-18-12(9-24-16)10-3-5-11(6-4-10)15(22)23-2/h3-9H,1-2H3,(H,18,19,21)
InChIKeyKMHLEAZNQMVLHJ-UHFFFAOYSA-N
XLogP2.58
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

benzyl (2S)-2-[[4-[4-(pyridin-4-ylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 57849751
2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl 4-bromo-1-methyl-1H-pyrazole-5-carboxylate
CID 1221829
Ethyl 1-benzyl-3-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]pyrazole-5-carboxylate
CID 46220952
2-Methyl-2H-pyrazole-3-carboxylic acid (4-phenyl-thiazol-2-ylcarbamoyl)-methyl ester
CID 652422
Ethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-prop-2-enylpyrazole-3-carboxylate
CID 46220735
Ethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzylpyrazole-3-carboxylate
CID 46220737
Ethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)pyrazole-3-carboxylate
CID 46220738
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1-benzyl-3-(4-methylphenyl)pyrazole-5-carboxamide
CID 118715032
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methyl-1H-pyrazole-5-carboxamide
CID 25284523
methyl 4-((2-(1H-pyrazol-1-yl)ethyl)(4-fluorobenzo[d]thiazol-2-yl)carbamoyl)benzoate
CID 30868554
5-(2-Benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzylpyrazole-3-carboxylic acid
CID 46222253
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzylpyrazole-3-carboxamide
CID 118715030

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(2-methylpyrazole-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate?
The IUPAC name of methyl 4-[2-[(2-methylpyrazole-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate (CID 25284528) is methyl 4-[2-[(2-methylpyrazole-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate.
What is the SMILES notation for methyl 4-[2-[(2-methylpyrazole-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate?
The canonical SMILES for methyl 4-[2-[(2-methylpyrazole-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate is COC(=O)c1ccc(-c2csc(NC(=O)c3ccnn3C)n2)cc1.
What is the InChIKey of methyl 4-[2-[(2-methylpyrazole-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate?
The InChIKey is KMHLEAZNQMVLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-20-13(7-8-17-20)14(21)19-16-18-12(9-24-16)10-3-5-11(6-4-10)15(22)23-2/h3-9H,1-2H3,(H,18,19,21).
What are the key properties of methyl 4-[2-[(2-methylpyrazole-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate?
methyl 4-[2-[(2-methylpyrazole-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate has a molecular weight of 342.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[(2-methylpyrazole-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate is sourced from PubChem (CID 25284528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).