4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid

C15H10N2O2S — CID 73012806

IUPAC4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2cccnc2)nc1-c1ccccc1
InChIInChI=1S/C15H10N2O2S/c18-15(19)13-12(10-5-2-1-3-6-10)17-14(20-13)11-7-4-8-16-9-11/h1-9H,(H,18,19)
InChIKeyZVZHNRJKBGFMGC-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.57
Rot. Bonds3

About 4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid

4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 73012806) has the molecular formula C15H10N2O2S and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
PubChem CID73012806
Molecular FormulaC15H10N2O2S
Molecular Weight282.32 g/mol
Exact Mass282.05
IUPAC Name4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2cccnc2)nc1-c1ccccc1
InChIInChI=1S/C15H10N2O2S/c18-15(19)13-12(10-5-2-1-3-6-10)17-14(20-13)11-7-4-8-16-9-11/h1-9H,(H,18,19)
InChIKeyZVZHNRJKBGFMGC-UHFFFAOYSA-N
XLogP3.57
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 94970742
N,N-dimethyl-4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 3040028
2-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 94970678
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-(2,4-dipyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82069424
4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride
CID 86713748
2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 47120010
4-phenyl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 135127906
2-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 82227655
2-(1,3-diphenylpyrazol-4-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 118727567
2-iodo-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 58016057

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid (CID 73012806) is 4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(-c2cccnc2)nc1-c1ccccc1.
What is the InChIKey of 4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZVZHNRJKBGFMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2S/c18-15(19)13-12(10-5-2-1-3-6-10)17-14(20-13)11-7-4-8-16-9-11/h1-9H,(H,18,19).
What are the key properties of 4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid?
4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 282.32 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 73012806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).