4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide

C12H14F3N3O3S — CID 155949477

IUPAC4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide
SMILESO=C(CCC(=O)N1CCC(O)(C(F)(F)F)C1)Nc1nccs1
InChIInChI=1S/C12H14F3N3O3S/c13-12(14,15)11(21)3-5-18(7-11)9(20)2-1-8(19)17-10-16-4-6-22-10/h4,6,21H,1-3,5,7H2,(H,16,17,19)
InChIKeyOUMAXLLNAAFHGI-UHFFFAOYSA-N
MW337.32 g/mol
LogP1.39
Rot. Bonds4

About 4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide

4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 155949477) has the molecular formula C12H14F3N3O3S and a molecular weight of 337.32 g/mol. Its IUPAC name is 4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide
PubChem CID155949477
Molecular FormulaC12H14F3N3O3S
Molecular Weight337.32 g/mol
Exact Mass337.07
IUPAC Name4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide
SMILESO=C(CCC(=O)N1CCC(O)(C(F)(F)F)C1)Nc1nccs1
InChIInChI=1S/C12H14F3N3O3S/c13-12(14,15)11(21)3-5-18(7-11)9(20)2-1-8(19)17-10-16-4-6-22-10/h4,6,21H,1-3,5,7H2,(H,16,17,19)
InChIKeyOUMAXLLNAAFHGI-UHFFFAOYSA-N
XLogP1.39
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide (CID 155949477) is 4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide is O=C(CCC(=O)N1CCC(O)(C(F)(F)F)C1)Nc1nccs1.
What is the InChIKey of 4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is OUMAXLLNAAFHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3S/c13-12(14,15)11(21)3-5-18(7-11)9(20)2-1-8(19)17-10-16-4-6-22-10/h4,6,21H,1-3,5,7H2,(H,16,17,19).
What are the key properties of 4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide?
4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 337.32 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 155949477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).