1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxylic acid

C15H14N4O2S — CID 134816908

IUPAC1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxylic acid
SMILESCc1ccc(Nc2nc(-c3cc(C(=O)O)nn3C)cs2)cc1
InChIInChI=1S/C15H14N4O2S/c1-9-3-5-10(6-4-9)16-15-17-12(8-22-15)13-7-11(14(20)21)18-19(13)2/h3-8H,1-2H3,(H,16,17)(H,20,21)
InChIKeyBHDOQUVEQSUSQU-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.29
Rot. Bonds4

About 1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxylic acid

1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxylic acid (PubChem CID 134816908) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxylic acid
PubChem CID134816908
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxylic acid
SMILESCc1ccc(Nc2nc(-c3cc(C(=O)O)nn3C)cs2)cc1
InChIInChI=1S/C15H14N4O2S/c1-9-3-5-10(6-4-9)16-15-17-12(8-22-15)13-7-11(14(20)21)18-19(13)2/h3-8H,1-2H3,(H,16,17)(H,20,21)
InChIKeyBHDOQUVEQSUSQU-UHFFFAOYSA-N
XLogP3.29
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-{[4'-Methyl-2'-(propanoylamino)-4,5'-bi-1,3-thiazol-2-yl]amino}benzoic acid
CID 2230893
4-{[2'-(Acetylamino)-4'-methyl-4,5'-bi-1,3-thiazol-2-yl]amino}benzoic acid hydrobromide
CID 2230812
5-(2-Benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzylpyrazole-3-carboxylic acid
CID 46222253
5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylic acid
CID 71517091
Ethyl 1-methyl-5-[2-(4-methylanilino)thiazol-4-yl]pyrazole-3-carboxylate
CID 134816851
5-[2-(3,5-Dichloroanilino)thiazol-4-yl]-1-methyl-pyrazole-3-carboxylic acid
CID 134816926
4-[[5-Methyl-2-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carbonyl]amino]benzoic acid
CID 142463484
4-[[5-Methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carbonyl]amino]benzoic acid
CID 142463625
Cambridge id 5934630
CID 2877558
methyl 2-(1,3-dimethyl-1H-pyrazole-5-carboxamido)benzo[d]thiazole-6-carboxylate
CID 16952817
Butyl 1-methyl-5-[2-(4-methylanilino)thiazol-4-yl]pyrazole-3-carboxylate
CID 134816755
3-[[1-(4-Methyl-1,3-thiazol-2-yl)-3,5-bis(trifluoromethyl)pyrazol-4-yl]amino]benzoic acid
CID 87804055

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxylic acid (CID 134816908) is 1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxylic acid is Cc1ccc(Nc2nc(-c3cc(C(=O)O)nn3C)cs2)cc1.
What is the InChIKey of 1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxylic acid?
The InChIKey is BHDOQUVEQSUSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-9-3-5-10(6-4-9)16-15-17-12(8-22-15)13-7-11(14(20)21)18-19(13)2/h3-8H,1-2H3,(H,16,17)(H,20,21).
What are the key properties of 1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxylic acid?
1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxylic acid has a molecular weight of 314.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 134816908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).