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

C14H9ClN2S — CID 141303955

IUPAC5-(3-chlorophenyl)-2-pyridin-4-yl-1,3-thiazole
SMILESClc1cccc(-c2cnc(-c3ccncc3)s2)c1
InChIInChI=1S/C14H9ClN2S/c15-12-3-1-2-11(8-12)13-9-17-14(18-13)10-4-6-16-7-5-10/h1-9H
InChIKeyQMXPYZVMWAWKFA-UHFFFAOYSA-N
MW272.76 g/mol
LogP4.53
Rot. Bonds2

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

5-(3-chlorophenyl)-2-pyridin-4-yl-1,3-thiazole (PubChem CID 141303955) has the molecular formula C14H9ClN2S and a molecular weight of 272.76 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2-pyridin-4-yl-1,3-thiazole
PubChem CID141303955
Molecular FormulaC14H9ClN2S
Molecular Weight272.76 g/mol
Exact Mass272.02
IUPAC Name5-(3-chlorophenyl)-2-pyridin-4-yl-1,3-thiazole
SMILESClc1cccc(-c2cnc(-c3ccncc3)s2)c1
InChIInChI=1S/C14H9ClN2S/c15-12-3-1-2-11(8-12)13-9-17-14(18-13)10-4-6-16-7-5-10/h1-9H
InChIKeyQMXPYZVMWAWKFA-UHFFFAOYSA-N
XLogP4.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-2-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 5-(3-chlorophenyl)-2-pyridin-4-yl-1,3-thiazole (CID 141303955) is 5-(3-chlorophenyl)-2-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 5-(3-chlorophenyl)-2-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 5-(3-chlorophenyl)-2-pyridin-4-yl-1,3-thiazole is Clc1cccc(-c2cnc(-c3ccncc3)s2)c1.
What is the InChIKey of 5-(3-chlorophenyl)-2-pyridin-4-yl-1,3-thiazole?
The InChIKey is QMXPYZVMWAWKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2S/c15-12-3-1-2-11(8-12)13-9-17-14(18-13)10-4-6-16-7-5-10/h1-9H.
What are the key properties of 5-(3-chlorophenyl)-2-pyridin-4-yl-1,3-thiazole?
5-(3-chlorophenyl)-2-pyridin-4-yl-1,3-thiazole has a molecular weight of 272.76 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-2-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 141303955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).