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

C13H17F3N2O2S — CID 97086418

IUPAC(3S)-3-cyclopropyl-3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide
SMILESC[C@](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)/t12-/m0/s1
InChIKeyRFNFHCIQKMINJY-LBPRGKRZSA-N
MW322.35 g/mol
LogP2.37
Rot. Bonds6

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

(3S)-3-cyclopropyl-3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide (PubChem CID 97086418) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is (3S)-3-cyclopropyl-3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide.

Molecular Properties

Compound Name(3S)-3-cyclopropyl-3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide
PubChem CID97086418
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC Name(3S)-3-cyclopropyl-3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide
SMILESC[C@](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)/t12-/m0/s1
InChIKeyRFNFHCIQKMINJY-LBPRGKRZSA-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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Related Compounds

2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 75387953
N-propyl-1-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxamide
CID 49400913
N-cyclopropyl-1-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxamide
CID 49403449
4,4,4-trifluoro-3-hydroxy-N-(4-methylpentyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 53549360
4,4,4-trifluoro-3-hydroxy-N-(7-methyloctyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 56083157
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 56205101
4,4,4-trifluoro-3-hydroxy-N-[3-(4-methylpiperidin-1-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 56205539
N-[3-(cyclohexylamino)-3-oxopropyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 56205620
N-cyclopropyl-1-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]piperidine-4-carboxamide
CID 56205813
N-[2-[[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]ethyl]cyclohexanecarboxamide
CID 56205996
N-methyl-1-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxamide
CID 60293508
3-cyclopropyl-3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide
CID 71909517

Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclopropyl-3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide?
The IUPAC name of (3S)-3-cyclopropyl-3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide (CID 97086418) is (3S)-3-cyclopropyl-3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide.
What is the SMILES notation for (3S)-3-cyclopropyl-3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide?
The canonical SMILES for (3S)-3-cyclopropyl-3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide is C[C@](O)(CC(=O)NCCc1nc(C(F)(F)F)cs1)C1CC1.
What is the InChIKey of (3S)-3-cyclopropyl-3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide?
The InChIKey is RFNFHCIQKMINJY-LBPRGKRZSA-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)/t12-/m0/s1.
What are the key properties of (3S)-3-cyclopropyl-3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide?
(3S)-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 (3S)-3-cyclopropyl-3-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]butanamide is sourced from PubChem (CID 97086418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).