5-chloro-4-(4-methylphenyl)-2-phenyl-1,3-thiazole

C16H12ClNS — CID 45113674

IUPAC5-chloro-4-(4-methylphenyl)-2-phenyl-1,3-thiazole
SMILESCc1ccc(-c2nc(-c3ccccc3)sc2Cl)cc1
InChIInChI=1S/C16H12ClNS/c1-11-7-9-12(10-8-11)14-15(17)19-16(18-14)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyDUXHOAYSBWBJQR-UHFFFAOYSA-N
MW285.80 g/mol
LogP5.44
Rot. Bonds2

About 5-chloro-4-(4-methylphenyl)-2-phenyl-1,3-thiazole

5-chloro-4-(4-methylphenyl)-2-phenyl-1,3-thiazole (PubChem CID 45113674) has the molecular formula C16H12ClNS and a molecular weight of 285.80 g/mol. Its IUPAC name is 5-chloro-4-(4-methylphenyl)-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-4-(4-methylphenyl)-2-phenyl-1,3-thiazole
PubChem CID45113674
Molecular FormulaC16H12ClNS
Molecular Weight285.80 g/mol
Exact Mass285.04
IUPAC Name5-chloro-4-(4-methylphenyl)-2-phenyl-1,3-thiazole
SMILESCc1ccc(-c2nc(-c3ccccc3)sc2Cl)cc1
InChIInChI=1S/C16H12ClNS/c1-11-7-9-12(10-8-11)14-15(17)19-16(18-14)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyDUXHOAYSBWBJQR-UHFFFAOYSA-N
XLogP5.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.80
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-methylphenyl)-2-phenyl-1,3-thiazole?
The IUPAC name of 5-chloro-4-(4-methylphenyl)-2-phenyl-1,3-thiazole (CID 45113674) is 5-chloro-4-(4-methylphenyl)-2-phenyl-1,3-thiazole.
What is the SMILES notation for 5-chloro-4-(4-methylphenyl)-2-phenyl-1,3-thiazole?
The canonical SMILES for 5-chloro-4-(4-methylphenyl)-2-phenyl-1,3-thiazole is Cc1ccc(-c2nc(-c3ccccc3)sc2Cl)cc1.
What is the InChIKey of 5-chloro-4-(4-methylphenyl)-2-phenyl-1,3-thiazole?
The InChIKey is DUXHOAYSBWBJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNS/c1-11-7-9-12(10-8-11)14-15(17)19-16(18-14)13-5-3-2-4-6-13/h2-10H,1H3.
What are the key properties of 5-chloro-4-(4-methylphenyl)-2-phenyl-1,3-thiazole?
5-chloro-4-(4-methylphenyl)-2-phenyl-1,3-thiazole has a molecular weight of 285.80 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-methylphenyl)-2-phenyl-1,3-thiazole is sourced from PubChem (CID 45113674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).