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

C16H12ClNOS — CID 28942293

IUPAC3-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol
SMILESCc1sc(-c2cccc(O)c2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClNOS/c1-10-15(11-5-7-13(17)8-6-11)18-16(20-10)12-3-2-4-14(19)9-12/h2-9,19H,1H3
InChIKeyWJXNQRMHCWKAMN-UHFFFAOYSA-N
MW301.80 g/mol
LogP5.14
Rot. Bonds2

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

3-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol (PubChem CID 28942293) has the molecular formula C16H12ClNOS and a molecular weight of 301.80 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol
PubChem CID28942293
Molecular FormulaC16H12ClNOS
Molecular Weight301.80 g/mol
Exact Mass301.03
IUPAC Name3-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol
SMILESCc1sc(-c2cccc(O)c2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClNOS/c1-10-15(11-5-7-13(17)8-6-11)18-16(20-10)12-3-2-4-14(19)9-12/h2-9,19H,1H3
InChIKeyWJXNQRMHCWKAMN-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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol?
The IUPAC name of 3-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol (CID 28942293) is 3-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol?
The canonical SMILES for 3-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol is Cc1sc(-c2cccc(O)c2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol?
The InChIKey is WJXNQRMHCWKAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNOS/c1-10-15(11-5-7-13(17)8-6-11)18-16(20-10)12-3-2-4-14(19)9-12/h2-9,19H,1H3.
What are the key properties of 3-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol?
3-[4-(4-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-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol is sourced from PubChem (CID 28942293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).