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

C19H13ClN2S — CID 1481995

IUPAC2-(4-chlorophenyl)-4-methyl-5-quinolin-2-yl-1,3-thiazole
SMILESCc1nc(-c2ccc(Cl)cc2)sc1-c1ccc2ccccc2n1
InChIInChI=1S/C19H13ClN2S/c1-12-18(17-11-8-13-4-2-3-5-16(13)22-17)23-19(21-12)14-6-9-15(20)10-7-14/h2-11H,1H3
InChIKeyWMIDVHYAWAHSTL-UHFFFAOYSA-N
MW336.85 g/mol
LogP5.99
Rot. Bonds2

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

2-(4-chlorophenyl)-4-methyl-5-quinolin-2-yl-1,3-thiazole (PubChem CID 1481995) has the molecular formula C19H13ClN2S and a molecular weight of 336.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-methyl-5-quinolin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-methyl-5-quinolin-2-yl-1,3-thiazole
PubChem CID1481995
Molecular FormulaC19H13ClN2S
Molecular Weight336.85 g/mol
Exact Mass336.05
IUPAC Name2-(4-chlorophenyl)-4-methyl-5-quinolin-2-yl-1,3-thiazole
SMILESCc1nc(-c2ccc(Cl)cc2)sc1-c1ccc2ccccc2n1
InChIInChI=1S/C19H13ClN2S/c1-12-18(17-11-8-13-4-2-3-5-16(13)22-17)23-19(21-12)14-6-9-15(20)10-7-14/h2-11H,1H3
InChIKeyWMIDVHYAWAHSTL-UHFFFAOYSA-N
XLogP5.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.85
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-methyl-5-quinolin-2-yl-1,3-thiazole?
The IUPAC name of 2-(4-chlorophenyl)-4-methyl-5-quinolin-2-yl-1,3-thiazole (CID 1481995) is 2-(4-chlorophenyl)-4-methyl-5-quinolin-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-4-methyl-5-quinolin-2-yl-1,3-thiazole?
The canonical SMILES for 2-(4-chlorophenyl)-4-methyl-5-quinolin-2-yl-1,3-thiazole is Cc1nc(-c2ccc(Cl)cc2)sc1-c1ccc2ccccc2n1.
What is the InChIKey of 2-(4-chlorophenyl)-4-methyl-5-quinolin-2-yl-1,3-thiazole?
The InChIKey is WMIDVHYAWAHSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2S/c1-12-18(17-11-8-13-4-2-3-5-16(13)22-17)23-19(21-12)14-6-9-15(20)10-7-14/h2-11H,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-methyl-5-quinolin-2-yl-1,3-thiazole?
2-(4-chlorophenyl)-4-methyl-5-quinolin-2-yl-1,3-thiazole has a molecular weight of 336.85 g/mol, XLogP of 5.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-methyl-5-quinolin-2-yl-1,3-thiazole is sourced from PubChem (CID 1481995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).