2-(1,5-dimethylpyrazol-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid

C15H13N3O2S — CID 79570865

IUPAC2-(1,5-dimethylpyrazol-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid
SMILESCc1c(-c2nc(C(=O)O)c(-c3ccccc3)s2)cnn1C
InChIInChI=1S/C15H13N3O2S/c1-9-11(8-16-18(9)2)14-17-12(15(19)20)13(21-14)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,19,20)
InChIKeyUYXHQXIDFYBFND-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.22
Rot. Bonds3

About 2-(1,5-dimethylpyrazol-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid

2-(1,5-dimethylpyrazol-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid (PubChem CID 79570865) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid
PubChem CID79570865
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid
SMILESCc1c(-c2nc(C(=O)O)c(-c3ccccc3)s2)cnn1C
InChIInChI=1S/C15H13N3O2S/c1-9-11(8-16-18(9)2)14-17-12(15(19)20)13(21-14)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,19,20)
InChIKeyUYXHQXIDFYBFND-UHFFFAOYSA-N
XLogP3.22
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 64715180
sodium;hydride;2-(2-hydroxy-5-methylphenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 173422820
2,5-bis(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 46313729
2-(5-chlorothiophen-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 64715806
2-(dimethylamino)-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 66865715
5-(1,5-dimethylpyrazol-4-yl)-4-methylthiophene-2-carboxylic acid
CID 79997238
ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate
CID 11001366
2-carbamoyl-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 59291531
5-phenyl-2-propyl-1,3-thiazole-4-carboxylic acid
CID 64716441
2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
CID 79570867
2-chloro-3-(1,5-dimethylpyrazol-4-yl)benzoic acid
CID 163208344
2-(1-methoxyethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 79615913

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid (CID 79570865) is 2-(1,5-dimethylpyrazol-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid is Cc1c(-c2nc(C(=O)O)c(-c3ccccc3)s2)cnn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is UYXHQXIDFYBFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9-11(8-16-18(9)2)14-17-12(15(19)20)13(21-14)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,19,20).
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
2-(1,5-dimethylpyrazol-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 299.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 79570865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).