3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-thiazole

C16H12ClNOS — CID 121415645

IUPAC3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-thiazole
SMILESCOc1ccc(-c2cc(-c3ccccc3Cl)ns2)cc1
InChIInChI=1S/C16H12ClNOS/c1-19-12-8-6-11(7-9-12)16-10-15(18-20-16)13-4-2-3-5-14(13)17/h2-10H,1H3
InChIKeyOQHUGGANHCWECJ-UHFFFAOYSA-N
MW301.80 g/mol
LogP5.14
Rot. Bonds3

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

3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-thiazole (PubChem CID 121415645) has the molecular formula C16H12ClNOS and a molecular weight of 301.80 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-thiazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-thiazole
PubChem CID121415645
Molecular FormulaC16H12ClNOS
Molecular Weight301.80 g/mol
Exact Mass301.03
IUPAC Name3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-thiazole
SMILESCOc1ccc(-c2cc(-c3ccccc3Cl)ns2)cc1
InChIInChI=1S/C16H12ClNOS/c1-19-12-8-6-11(7-9-12)16-10-15(18-20-16)13-4-2-3-5-14(13)17/h2-10H,1H3
InChIKeyOQHUGGANHCWECJ-UHFFFAOYSA-N
XLogP5.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.80
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-thiazole?
The IUPAC name of 3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-thiazole (CID 121415645) is 3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-thiazole.
What is the SMILES notation for 3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-thiazole?
The canonical SMILES for 3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-thiazole is COc1ccc(-c2cc(-c3ccccc3Cl)ns2)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-thiazole?
The InChIKey is OQHUGGANHCWECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNOS/c1-19-12-8-6-11(7-9-12)16-10-15(18-20-16)13-4-2-3-5-14(13)17/h2-10H,1H3.
What are the key properties of 3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-thiazole?
3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-thiazole has a molecular weight of 301.80 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-thiazole is sourced from PubChem (CID 121415645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).