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

C16H12ClNS2 — CID 54283901

IUPAC2-chloro-5-(4-methylsulfanylphenyl)-4-phenyl-1,3-thiazole
SMILESCSc1ccc(-c2sc(Cl)nc2-c2ccccc2)cc1
InChIInChI=1S/C16H12ClNS2/c1-19-13-9-7-12(8-10-13)15-14(18-16(17)20-15)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyRSSXSZDUQRGCFE-UHFFFAOYSA-N
MW317.87 g/mol
LogP5.85
Rot. Bonds3

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

2-chloro-5-(4-methylsulfanylphenyl)-4-phenyl-1,3-thiazole (PubChem CID 54283901) has the molecular formula C16H12ClNS2 and a molecular weight of 317.87 g/mol. Its IUPAC name is 2-chloro-5-(4-methylsulfanylphenyl)-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(4-methylsulfanylphenyl)-4-phenyl-1,3-thiazole
PubChem CID54283901
Molecular FormulaC16H12ClNS2
Molecular Weight317.87 g/mol
Exact Mass317.01
IUPAC Name2-chloro-5-(4-methylsulfanylphenyl)-4-phenyl-1,3-thiazole
SMILESCSc1ccc(-c2sc(Cl)nc2-c2ccccc2)cc1
InChIInChI=1S/C16H12ClNS2/c1-19-13-9-7-12(8-10-13)15-14(18-16(17)20-15)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyRSSXSZDUQRGCFE-UHFFFAOYSA-N
XLogP5.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.87
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-4,5-diphenylthiazole
CID 77365
3-Ethyl-2-methyl-4,5-diphenyl-1,3-thiazol-3-ium iodide
CID 16194442
4-(2-Methyl-4-phenyl-thiazol-5-yl)-benzenesulfonamide
CID 10019555
5-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-2-methyl-thiazole
CID 10154719
2-(Trifluoromethyl)-4-(4-fluorophenyl)-5-[4-(methylsulfonyl)phenyl]thiazole
CID 10157862
4-(4-Fluorophenyl)-5-(4-methylsulfonylphenyl)-2-methylthiazole
CID 10172237
4-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2-thiophen-2-yl-thiazole
CID 10273329
2-(Trifluoromethyl)-4-[4-(methylsulfonyl)phenyl]-5-(4-fluorophenyl)thiazole
CID 10294458
4-(2-Methyl-5-phenyl-thiazol-4-yl)-benzenesulfonamide
CID 17816357
2-tert-Butyl-4-(4-fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-thiazole
CID 22911749
[4-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-thiazol-2-yl]-acetonitrile
CID 22911767
2-Ethyl-4-(4-fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-thiazole
CID 22911810

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-methylsulfanylphenyl)-4-phenyl-1,3-thiazole?
The IUPAC name of 2-chloro-5-(4-methylsulfanylphenyl)-4-phenyl-1,3-thiazole (CID 54283901) is 2-chloro-5-(4-methylsulfanylphenyl)-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(4-methylsulfanylphenyl)-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(4-methylsulfanylphenyl)-4-phenyl-1,3-thiazole is CSc1ccc(-c2sc(Cl)nc2-c2ccccc2)cc1.
What is the InChIKey of 2-chloro-5-(4-methylsulfanylphenyl)-4-phenyl-1,3-thiazole?
The InChIKey is RSSXSZDUQRGCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNS2/c1-19-13-9-7-12(8-10-13)15-14(18-16(17)20-15)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 2-chloro-5-(4-methylsulfanylphenyl)-4-phenyl-1,3-thiazole?
2-chloro-5-(4-methylsulfanylphenyl)-4-phenyl-1,3-thiazole has a molecular weight of 317.87 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-methylsulfanylphenyl)-4-phenyl-1,3-thiazole is sourced from PubChem (CID 54283901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).