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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Related Compounds

5-(4-Chlorophenyl)-4-(4-methoxyphenyl)isothiazole
CID 44564457
4-(4-Chlorophenyl)-5-(4-methoxyphenyl)isothiazole
CID 44564458
3-(3-Fluoro-4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole
CID 90982649
3-(4-Chlorophenyl)-4-[(2-fluoro-4-propylphenoxy)methyl]-5-(trifluoromethyl)-1,2-thiazole
CID 123884334
3-(4-Chloro-2-fluorophenyl)-4-[(2,6-difluorophenoxy)methyl]-5-(trifluoromethyl)-1,2-thiazole
CID 141468346
3-(4-Chlorophenyl)-4-[(2-ethylphenoxy)methyl]-5-(trifluoromethyl)-1,2-thiazole
CID 141468350
3-(4-Chlorophenyl)-4-[(2,6-difluorophenoxy)methyl]-5-(trifluoromethyl)-1,2-thiazole
CID 141468358
3-(4-Chloro-3-fluorophenyl)-4-[(2,6-difluorophenoxy)methyl]-5-(trifluoromethyl)-1,2-thiazole
CID 141468360
5-(4-Chloro-3-fluorophenyl)-4-[(2,6-difluoro-4-propylphenoxy)methyl]-3-(trifluoromethyl)-1,2-thiazole
CID 148802676
3-(4-Chloro-2,6-difluorophenyl)-4-[(2,6-difluoro-4-propylphenoxy)methyl]-5-(trifluoromethyl)-1,2-thiazole
CID 150502465
3-(4-Chlorophenyl)-5-(trifluoromethyl)-4-[(2,3,6-trifluoro-4-propylphenoxy)methyl]-1,2-thiazole
CID 151812547
3-(4-Chlorophenyl)-4-[[4-(2-methylpropyl)phenoxy]methyl]-5-(trifluoromethyl)-1,2-thiazole
CID 163538309

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).