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

C16H11ClN2O2S — CID 3801800

IUPAC(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) 4-chlorobenzoate
SMILESCc1sc(-c2ccccn2)nc1OC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2O2S/c1-10-14(19-15(22-10)13-4-2-3-9-18-13)21-16(20)11-5-7-12(17)8-6-11/h2-9H,1H3
InChIKeySNXRGBFTZLPKRH-UHFFFAOYSA-N
MW330.80 g/mol
LogP4.39
Rot. Bonds3

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

(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) 4-chlorobenzoate (PubChem CID 3801800) has the molecular formula C16H11ClN2O2S and a molecular weight of 330.80 g/mol. Its IUPAC name is (5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) 4-chlorobenzoate.

Molecular Properties

Compound Name(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) 4-chlorobenzoate
PubChem CID3801800
Molecular FormulaC16H11ClN2O2S
Molecular Weight330.80 g/mol
Exact Mass330.02
IUPAC Name(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) 4-chlorobenzoate
SMILESCc1sc(-c2ccccn2)nc1OC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2O2S/c1-10-14(19-15(22-10)13-4-2-3-9-18-13)21-16(20)11-5-7-12(17)8-6-11/h2-9H,1H3
InChIKeySNXRGBFTZLPKRH-UHFFFAOYSA-N
XLogP4.39
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.80
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) 4-chlorobenzoate?
The IUPAC name of (5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) 4-chlorobenzoate (CID 3801800) is (5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) 4-chlorobenzoate.
What is the SMILES notation for (5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) 4-chlorobenzoate?
The canonical SMILES for (5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) 4-chlorobenzoate is Cc1sc(-c2ccccn2)nc1OC(=O)c1ccc(Cl)cc1.
What is the InChIKey of (5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) 4-chlorobenzoate?
The InChIKey is SNXRGBFTZLPKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2S/c1-10-14(19-15(22-10)13-4-2-3-9-18-13)21-16(20)11-5-7-12(17)8-6-11/h2-9H,1H3.
What are the key properties of (5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) 4-chlorobenzoate?
(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) 4-chlorobenzoate has a molecular weight of 330.80 g/mol, XLogP of 4.39, 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) 4-chlorobenzoate is sourced from PubChem (CID 3801800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).