1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol

C24H25ClF3NO3S — CID 165402195

About 1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol

1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol (PubChem CID 165402195) has the molecular formula C24H25ClF3NO3S and a molecular weight of 499.98 g/mol. Its IUPAC name is 1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol.

Molecular Properties

• Compound Name: 1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol
• PubChem CID: 165402195
• Molecular Formula: C24H25ClF3NO3S
• Molecular Weight: 499.98 g/mol
• Exact Mass: 499.12
• IUPAC Name: 1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol
• SMILES: CC(C)c1nc(-c2ccc(C(F)(F)F)cc2)sc1CCC(O)c1ccc(OCCO)c(Cl)c1
• InChI: InChI=1S/C24H25ClF3NO3S/c1-14(2)22-21(33-23(29-22)15-3-6-17(7-4-15)24(26,27)28)10-8-19(31)16-5-9-20(18(25)13-16)32-12-11-30/h3-7,9,13-14,19,30-31H,8,10-12H2,1-2H3
• InChIKey: IKNISVWRICAPKZ-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 62.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.98
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol?

The IUPAC name of 1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol (CID 165402195) is 1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol.

What is the SMILES notation for 1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol?

The canonical SMILES for 1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol is CC(C)c1nc(-c2ccc(C(F)(F)F)cc2)sc1CCC(O)c1ccc(OCCO)c(Cl)c1.

What is the InChIKey of 1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol?

The InChIKey is IKNISVWRICAPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF3NO3S/c1-14(2)22-21(33-23(29-22)15-3-6-17(7-4-15)24(26,27)28)10-8-19(31)16-5-9-20(18(25)13-16)32-12-11-30/h3-7,9,13-14,19,30-31H,8,10-12H2,1-2H3.

What are the key properties of 1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol?

1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol has a molecular weight of 499.98 g/mol, XLogP of 6.64, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-3-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol is sourced from PubChem (CID 165402195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).