2-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid

C15H9ClN2O2S — CID 94970678

IUPAC2-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2ccccc2Cl)nc1-c1cccnc1
InChIInChI=1S/C15H9ClN2O2S/c16-11-6-2-1-5-10(11)14-18-12(13(21-14)15(19)20)9-4-3-7-17-8-9/h1-8H,(H,19,20)
InChIKeyOPOJQQALSQQQTQ-UHFFFAOYSA-N
MW316.77 g/mol
LogP4.22
Rot. Bonds3

About 2-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid

2-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 94970678) has the molecular formula C15H9ClN2O2S and a molecular weight of 316.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
PubChem CID94970678
Molecular FormulaC15H9ClN2O2S
Molecular Weight316.77 g/mol
Exact Mass316.01
IUPAC Name2-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2ccccc2Cl)nc1-c1cccnc1
InChIInChI=1S/C15H9ClN2O2S/c16-11-6-2-1-5-10(11)14-18-12(13(21-14)15(19)20)9-4-3-7-17-8-9/h1-8H,(H,19,20)
InChIKeyOPOJQQALSQQQTQ-UHFFFAOYSA-N
XLogP4.22
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.77
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 73012806
4-(3,4-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 94970742
2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 64715180
N,N-dimethyl-4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 3040028
3-(2-chlorophenyl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 848731
2-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 82227655
4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride
CID 86713748
4-(4-bromophenyl)-2-phenyl-1,3-thiazole-5-carboxylic acid
CID 131954927
2-(4-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 136889078
2,4-bis(3,4,5-trichlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 134617786
2-(bromomethyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 141320592
2-(2,4-dipyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82069424

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid (CID 94970678) is 2-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(-c2ccccc2Cl)nc1-c1cccnc1.
What is the InChIKey of 2-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is OPOJQQALSQQQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O2S/c16-11-6-2-1-5-10(11)14-18-12(13(21-14)15(19)20)9-4-3-7-17-8-9/h1-8H,(H,19,20).
What are the key properties of 2-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid?
2-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 316.77 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 94970678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).