5-phenyl-2-quinolin-3-yl-1,3-thiazole

C18H12N2S — CID 15811954

IUPAC5-phenyl-2-quinolin-3-yl-1,3-thiazole
SMILESc1ccc(-c2cnc(-c3cnc4ccccc4c3)s2)cc1
InChIInChI=1S/C18H12N2S/c1-2-6-13(7-3-1)17-12-20-18(21-17)15-10-14-8-4-5-9-16(14)19-11-15/h1-12H
InChIKeyYBBSDGFPSYEKLQ-UHFFFAOYSA-N
MW288.38 g/mol
LogP5.03
Rot. Bonds2

About 5-phenyl-2-quinolin-3-yl-1,3-thiazole

5-phenyl-2-quinolin-3-yl-1,3-thiazole (PubChem CID 15811954) has the molecular formula C18H12N2S and a molecular weight of 288.38 g/mol. Its IUPAC name is 5-phenyl-2-quinolin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-phenyl-2-quinolin-3-yl-1,3-thiazole
PubChem CID15811954
Molecular FormulaC18H12N2S
Molecular Weight288.38 g/mol
Exact Mass288.07
IUPAC Name5-phenyl-2-quinolin-3-yl-1,3-thiazole
SMILESc1ccc(-c2cnc(-c3cnc4ccccc4c3)s2)cc1
InChIInChI=1S/C18H12N2S/c1-2-6-13(7-3-1)17-12-20-18(21-17)15-10-14-8-4-5-9-16(14)19-11-15/h1-12H
InChIKeyYBBSDGFPSYEKLQ-UHFFFAOYSA-N
XLogP5.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.38
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-quinolin-3-yl-1,3-thiazole?
The IUPAC name of 5-phenyl-2-quinolin-3-yl-1,3-thiazole (CID 15811954) is 5-phenyl-2-quinolin-3-yl-1,3-thiazole.
What is the SMILES notation for 5-phenyl-2-quinolin-3-yl-1,3-thiazole?
The canonical SMILES for 5-phenyl-2-quinolin-3-yl-1,3-thiazole is c1ccc(-c2cnc(-c3cnc4ccccc4c3)s2)cc1.
What is the InChIKey of 5-phenyl-2-quinolin-3-yl-1,3-thiazole?
The InChIKey is YBBSDGFPSYEKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2S/c1-2-6-13(7-3-1)17-12-20-18(21-17)15-10-14-8-4-5-9-16(14)19-11-15/h1-12H.
What are the key properties of 5-phenyl-2-quinolin-3-yl-1,3-thiazole?
5-phenyl-2-quinolin-3-yl-1,3-thiazole has a molecular weight of 288.38 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-quinolin-3-yl-1,3-thiazole is sourced from PubChem (CID 15811954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).