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

C16H12ClNOS — CID 44564457

IUPAC5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2-thiazole
SMILESCOc1ccc(-c2cnsc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H12ClNOS/c1-19-14-8-4-11(5-9-14)15-10-18-20-16(15)12-2-6-13(17)7-3-12/h2-10H,1H3
InChIKeyXGOLGQNTCHMSDA-UHFFFAOYSA-N
MW301.80 g/mol
LogP5.14
Rot. Bonds3

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

5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2-thiazole (PubChem CID 44564457) has the molecular formula C16H12ClNOS and a molecular weight of 301.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2-thiazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2-thiazole
PubChem CID44564457
Molecular FormulaC16H12ClNOS
Molecular Weight301.80 g/mol
Exact Mass301.03
IUPAC Name5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2-thiazole
SMILESCOc1ccc(-c2cnsc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H12ClNOS/c1-19-14-8-4-11(5-9-14)15-10-18-20-16(15)12-2-6-13(17)7-3-12/h2-10H,1H3
InChIKeyXGOLGQNTCHMSDA-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 5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2-thiazole?
The IUPAC name of 5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2-thiazole (CID 44564457) is 5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2-thiazole.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2-thiazole?
The canonical SMILES for 5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2-thiazole is COc1ccc(-c2cnsc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2-thiazole?
The InChIKey is XGOLGQNTCHMSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNOS/c1-19-14-8-4-11(5-9-14)15-10-18-20-16(15)12-2-6-13(17)7-3-12/h2-10H,1H3.
What are the key properties of 5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2-thiazole?
5-(4-chlorophenyl)-4-(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 5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2-thiazole is sourced from PubChem (CID 44564457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).