(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) benzoate

C16H12N2O2S — CID 4313462

IUPAC(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) benzoate
SMILESCc1sc(-c2ccccn2)nc1OC(=O)c1ccccc1
InChIInChI=1S/C16H12N2O2S/c1-11-14(20-16(19)12-7-3-2-4-8-12)18-15(21-11)13-9-5-6-10-17-13/h2-10H,1H3
InChIKeyWHYVJLITFJEDOU-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.73
Rot. Bonds3

About (5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) benzoate

(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) benzoate (PubChem CID 4313462) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is (5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) benzoate.

Molecular Properties

Compound Name(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) benzoate
PubChem CID4313462
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC Name(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) benzoate
SMILESCc1sc(-c2ccccn2)nc1OC(=O)c1ccccc1
InChIInChI=1S/C16H12N2O2S/c1-11-14(20-16(19)12-7-3-2-4-8-12)18-15(21-11)13-9-5-6-10-17-13/h2-10H,1H3
InChIKeyWHYVJLITFJEDOU-UHFFFAOYSA-N
XLogP3.73
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methyl-2-thiophen-2-yl-1,3-thiazol-4-yl) benzoate
CID 1474014
4,5-dimethyl-2-pyridin-2-yl-1,3-thiazole
CID 58923237
2,4-dipyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227069
(3-benzoyloxy-2-pyridin-2-ylphenyl) benzoate
CID 46187631
4-ethyl-5-methyl-2-pyridin-2-yl-1,3-thiazole
CID 91387936
(3-acetyloxy-2-pyridin-2-ylphenyl) benzoate
CID 46187630
5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 106696187
4-(4-chlorophenyl)-5-methyl-2-pyridin-2-yl-1,3-thiazole
CID 4822801
4-[2-(4-methylphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227065
5-amino-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 83707486
(4,6-dimethylpyrimidin-2-yl) benzoate
CID 835169
[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 9137814

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) benzoate?
The IUPAC name of (5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) benzoate (CID 4313462) is (5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) benzoate.
What is the SMILES notation for (5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) benzoate?
The canonical SMILES for (5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) benzoate is Cc1sc(-c2ccccn2)nc1OC(=O)c1ccccc1.
What is the InChIKey of (5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) benzoate?
The InChIKey is WHYVJLITFJEDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S/c1-11-14(20-16(19)12-7-3-2-4-8-12)18-15(21-11)13-9-5-6-10-17-13/h2-10H,1H3.
What are the key properties of (5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) benzoate?
(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) benzoate has a molecular weight of 296.35 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) benzoate is sourced from PubChem (CID 4313462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).