4-(4-methoxyphenyl)-5-(4-methylphenyl)-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole

C24H24F3NOS — CID 141352501

IUPAC4-(4-methoxyphenyl)-5-(4-methylphenyl)-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole
SMILESCOc1ccc(-c2nc(C3CCC(C(F)(F)F)CC3)sc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H24F3NOS/c1-15-3-5-17(6-4-15)22-21(16-9-13-20(29-2)14-10-16)28-23(30-22)18-7-11-19(12-8-18)24(25,26)27/h3-6,9-10,13-14,18-19H,7-8,11-12H2,1-2H3
InChIKeyMTJDJZOWZXOHSR-UHFFFAOYSA-N
MW431.52 g/mol
LogP7.63
Rot. Bonds4

About 4-(4-methoxyphenyl)-5-(4-methylphenyl)-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole

4-(4-methoxyphenyl)-5-(4-methylphenyl)-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole (PubChem CID 141352501) has the molecular formula C24H24F3NOS and a molecular weight of 431.52 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-(4-methylphenyl)-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-(4-methylphenyl)-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole
PubChem CID141352501
Molecular FormulaC24H24F3NOS
Molecular Weight431.52 g/mol
Exact Mass431.15
IUPAC Name4-(4-methoxyphenyl)-5-(4-methylphenyl)-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole
SMILESCOc1ccc(-c2nc(C3CCC(C(F)(F)F)CC3)sc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H24F3NOS/c1-15-3-5-17(6-4-15)22-21(16-9-13-20(29-2)14-10-16)28-23(30-22)18-7-11-19(12-8-18)24(25,26)27/h3-6,9-10,13-14,18-19H,7-8,11-12H2,1-2H3
InChIKeyMTJDJZOWZXOHSR-UHFFFAOYSA-N
XLogP7.63
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.52
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-(4-methylphenyl)-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole?
The IUPAC name of 4-(4-methoxyphenyl)-5-(4-methylphenyl)-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole (CID 141352501) is 4-(4-methoxyphenyl)-5-(4-methylphenyl)-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-(4-methylphenyl)-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole?
The canonical SMILES for 4-(4-methoxyphenyl)-5-(4-methylphenyl)-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole is COc1ccc(-c2nc(C3CCC(C(F)(F)F)CC3)sc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5-(4-methylphenyl)-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole?
The InChIKey is MTJDJZOWZXOHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3NOS/c1-15-3-5-17(6-4-15)22-21(16-9-13-20(29-2)14-10-16)28-23(30-22)18-7-11-19(12-8-18)24(25,26)27/h3-6,9-10,13-14,18-19H,7-8,11-12H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-5-(4-methylphenyl)-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole?
4-(4-methoxyphenyl)-5-(4-methylphenyl)-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole has a molecular weight of 431.52 g/mol, XLogP of 7.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-(4-methylphenyl)-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole is sourced from PubChem (CID 141352501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).