2-cyclopropyl-2-methyl-4-oxo-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]pentanoic acid

C19H18F3NO3S — CID 162238967

About 2-cyclopropyl-2-methyl-4-oxo-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]pentanoic acid

2-cyclopropyl-2-methyl-4-oxo-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]pentanoic acid (PubChem CID 162238967) has the molecular formula C19H18F3NO3S and a molecular weight of 397.42 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-4-oxo-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]pentanoic acid.

Molecular Properties

• Compound Name: 2-cyclopropyl-2-methyl-4-oxo-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]pentanoic acid
• PubChem CID: 162238967
• Molecular Formula: C19H18F3NO3S
• Molecular Weight: 397.42 g/mol
• Exact Mass: 397.10
• IUPAC Name: 2-cyclopropyl-2-methyl-4-oxo-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]pentanoic acid
• SMILES: CC(CC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)(C(=O)O)C1CC1
• InChI: InChI=1S/C19H18F3NO3S/c1-18(17(25)26,12-6-7-12)9-15(24)8-14-10-27-16(23-14)11-2-4-13(5-3-11)19(20,21)22/h2-5,10,12H,6-9H2,1H3,(H,25,26)
• InChIKey: ZWLGBCICRDFZNV-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 67.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.42
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyl-4-oxo-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]pentanoic acid?

The IUPAC name of 2-cyclopropyl-2-methyl-4-oxo-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]pentanoic acid (CID 162238967) is 2-cyclopropyl-2-methyl-4-oxo-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]pentanoic acid.

What is the SMILES notation for 2-cyclopropyl-2-methyl-4-oxo-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]pentanoic acid?

The canonical SMILES for 2-cyclopropyl-2-methyl-4-oxo-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]pentanoic acid is CC(CC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)(C(=O)O)C1CC1.

What is the InChIKey of 2-cyclopropyl-2-methyl-4-oxo-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]pentanoic acid?

The InChIKey is ZWLGBCICRDFZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO3S/c1-18(17(25)26,12-6-7-12)9-15(24)8-14-10-27-16(23-14)11-2-4-13(5-3-11)19(20,21)22/h2-5,10,12H,6-9H2,1H3,(H,25,26).

What are the key properties of 2-cyclopropyl-2-methyl-4-oxo-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]pentanoic acid?

2-cyclopropyl-2-methyl-4-oxo-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]pentanoic acid has a molecular weight of 397.42 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-2-methyl-4-oxo-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]pentanoic acid is sourced from PubChem (CID 162238967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).