2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,3-thiazol-4-ol

C16H12ClNO2S — CID 118719705

IUPAC2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,3-thiazol-4-ol
SMILESCOc1ccc(-c2sc(-c3ccc(Cl)cc3)nc2O)cc1
InChIInChI=1S/C16H12ClNO2S/c1-20-13-8-4-10(5-9-13)14-15(19)18-16(21-14)11-2-6-12(17)7-3-11/h2-9,19H,1H3
InChIKeyCUHJHZKKCKDGCX-UHFFFAOYSA-N
MW317.80 g/mol
LogP4.84
Rot. Bonds3

About 2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,3-thiazol-4-ol

2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,3-thiazol-4-ol (PubChem CID 118719705) has the molecular formula C16H12ClNO2S and a molecular weight of 317.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,3-thiazol-4-ol
PubChem CID118719705
Molecular FormulaC16H12ClNO2S
Molecular Weight317.80 g/mol
Exact Mass317.03
IUPAC Name2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,3-thiazol-4-ol
SMILESCOc1ccc(-c2sc(-c3ccc(Cl)cc3)nc2O)cc1
InChIInChI=1S/C16H12ClNO2S/c1-20-13-8-4-10(5-9-13)14-15(19)18-16(21-14)11-2-6-12(17)7-3-11/h2-9,19H,1H3
InChIKeyCUHJHZKKCKDGCX-UHFFFAOYSA-N
XLogP4.84
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,3-thiazol-4-ol?
The IUPAC name of 2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,3-thiazol-4-ol (CID 118719705) is 2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,3-thiazol-4-ol is COc1ccc(-c2sc(-c3ccc(Cl)cc3)nc2O)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,3-thiazol-4-ol?
The InChIKey is CUHJHZKKCKDGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2S/c1-20-13-8-4-10(5-9-13)14-15(19)18-16(21-14)11-2-6-12(17)7-3-11/h2-9,19H,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,3-thiazol-4-ol?
2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,3-thiazol-4-ol has a molecular weight of 317.80 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,3-thiazol-4-ol is sourced from PubChem (CID 118719705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).