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

C13H17F3N2O2S — CID 71909517

IUPAC3-cyclopropyl-3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide
SMILESCC(O)(CC(=O)NCCc1nc(C(F)(F)F)cs1)C1CC1
InChIInChI=1S/C13H17F3N2O2S/c1-12(20,8-2-3-8)6-10(19)17-5-4-11-18-9(7-21-11)13(14,15)16/h7-8,20H,2-6H2,1H3,(H,17,19)
InChIKeyRFNFHCIQKMINJY-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.37
Rot. Bonds6

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

3-cyclopropyl-3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide (PubChem CID 71909517) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is 3-cyclopropyl-3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide.

Molecular Properties

Compound Name3-cyclopropyl-3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide
PubChem CID71909517
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC Name3-cyclopropyl-3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide
SMILESCC(O)(CC(=O)NCCc1nc(C(F)(F)F)cs1)C1CC1
InChIInChI=1S/C13H17F3N2O2S/c1-12(20,8-2-3-8)6-10(19)17-5-4-11-18-9(7-21-11)13(14,15)16/h7-8,20H,2-6H2,1H3,(H,17,19)
InChIKeyRFNFHCIQKMINJY-UHFFFAOYSA-N
XLogP2.37
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide?
The IUPAC name of 3-cyclopropyl-3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide (CID 71909517) is 3-cyclopropyl-3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide.
What is the SMILES notation for 3-cyclopropyl-3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide?
The canonical SMILES for 3-cyclopropyl-3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide is CC(O)(CC(=O)NCCc1nc(C(F)(F)F)cs1)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide?
The InChIKey is RFNFHCIQKMINJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c1-12(20,8-2-3-8)6-10(19)17-5-4-11-18-9(7-21-11)13(14,15)16/h7-8,20H,2-6H2,1H3,(H,17,19).
What are the key properties of 3-cyclopropyl-3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide?
3-cyclopropyl-3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide has a molecular weight of 322.35 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide is sourced from PubChem (CID 71909517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).