3-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol

C16H12ClNOS — CID 28942285

IUPAC3-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol
SMILESCc1sc(-c2cccc(O)c2)nc1-c1cccc(Cl)c1
InChIInChI=1S/C16H12ClNOS/c1-10-15(11-4-2-6-13(17)8-11)18-16(20-10)12-5-3-7-14(19)9-12/h2-9,19H,1H3
InChIKeyWHTIURGBUHSXMS-UHFFFAOYSA-N
MW301.80 g/mol
LogP5.14
Rot. Bonds2

About 3-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol

3-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol (PubChem CID 28942285) has the molecular formula C16H12ClNOS and a molecular weight of 301.80 g/mol. Its IUPAC name is 3-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol.

Molecular Properties

Compound Name3-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol
PubChem CID28942285
Molecular FormulaC16H12ClNOS
Molecular Weight301.80 g/mol
Exact Mass301.03
IUPAC Name3-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol
SMILESCc1sc(-c2cccc(O)c2)nc1-c1cccc(Cl)c1
InChIInChI=1S/C16H12ClNOS/c1-10-15(11-4-2-6-13(17)8-11)18-16(20-10)12-5-3-7-14(19)9-12/h2-9,19H,1H3
InChIKeyWHTIURGBUHSXMS-UHFFFAOYSA-N
XLogP5.14
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.80
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol?
The IUPAC name of 3-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol (CID 28942285) is 3-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol.
What is the SMILES notation for 3-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol?
The canonical SMILES for 3-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol is Cc1sc(-c2cccc(O)c2)nc1-c1cccc(Cl)c1.
What is the InChIKey of 3-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol?
The InChIKey is WHTIURGBUHSXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNOS/c1-10-15(11-4-2-6-13(17)8-11)18-16(20-10)12-5-3-7-14(19)9-12/h2-9,19H,1H3.
What are the key properties of 3-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol?
3-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol has a molecular weight of 301.80 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol is sourced from PubChem (CID 28942285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).