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

C22H16ClNOS2 — CID 4269272

IUPAC5-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccccc3)sc2Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H16ClNOS2/c1-25-18-11-7-15(8-12-18)20-22(26-19-13-9-17(23)10-14-19)27-21(24-20)16-5-3-2-4-6-16/h2-14H,1H3
InChIKeyIFXAFHTUEZHJKB-UHFFFAOYSA-N
MW409.96 g/mol
LogP7.29
Rot. Bonds5

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

5-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole (PubChem CID 4269272) has the molecular formula C22H16ClNOS2 and a molecular weight of 409.96 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole
PubChem CID4269272
Molecular FormulaC22H16ClNOS2
Molecular Weight409.96 g/mol
Exact Mass409.04
IUPAC Name5-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccccc3)sc2Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H16ClNOS2/c1-25-18-11-7-15(8-12-18)20-22(26-19-13-9-17(23)10-14-19)27-21(24-20)16-5-3-2-4-6-16/h2-14H,1H3
InChIKeyIFXAFHTUEZHJKB-UHFFFAOYSA-N
XLogP7.29
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.96
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole?
The IUPAC name of 5-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole (CID 4269272) is 5-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole.
What is the SMILES notation for 5-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole?
The canonical SMILES for 5-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole is COc1ccc(-c2nc(-c3ccccc3)sc2Sc2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole?
The InChIKey is IFXAFHTUEZHJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNOS2/c1-25-18-11-7-15(8-12-18)20-22(26-19-13-9-17(23)10-14-19)27-21(24-20)16-5-3-2-4-6-16/h2-14H,1H3.
What are the key properties of 5-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole?
5-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole has a molecular weight of 409.96 g/mol, XLogP of 7.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole is sourced from PubChem (CID 4269272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).