N-tert-butyl-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide

C16H17F3N2O2S — CID 155557997

IUPACN-tert-butyl-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)NC(=O)c1csc(C(O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H17F3N2O2S/c1-15(2,3)21-13(23)11-8-24-14(20-11)12(22)9-5-4-6-10(7-9)16(17,18)19/h4-8,12,22H,1-3H3,(H,21,23)
InChIKeyCJVBTFWAARGVBE-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.77
Rot. Bonds3

About N-tert-butyl-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide

N-tert-butyl-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 155557997) has the molecular formula C16H17F3N2O2S and a molecular weight of 358.39 g/mol. Its IUPAC name is N-tert-butyl-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID155557997
Molecular FormulaC16H17F3N2O2S
Molecular Weight358.39 g/mol
Exact Mass358.10
IUPAC NameN-tert-butyl-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)NC(=O)c1csc(C(O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H17F3N2O2S/c1-15(2,3)21-13(23)11-8-24-14(20-11)12(22)9-5-4-6-10(7-9)16(17,18)19/h4-8,12,22H,1-3H3,(H,21,23)
InChIKeyCJVBTFWAARGVBE-UHFFFAOYSA-N
XLogP3.77
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 155510442
2-[hydroxy(phenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 155557378
2-[(4-tert-butylphenyl)-hydroxymethyl]-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 155562294
2-[(4-tert-butylphenyl)-hydroxymethyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 155565757
2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 155569132
N-[(S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 99873767
2-[(4-tert-butylphenyl)-hydroxymethyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 155560325
N-(4-fluorophenyl)-2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 71728802
N-(4-chlorophenyl)-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 71729693
2-(1-Hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 5094101
N-[(R)-2-hydroxy-2-[p-(methylthio)phenyl]ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 97416882
N-(3-chlorophenyl)-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 71728713

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-tert-butyl-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 155557997) is N-tert-butyl-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide is CC(C)(C)NC(=O)c1csc(C(O)c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-tert-butyl-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is CJVBTFWAARGVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2S/c1-15(2,3)21-13(23)11-8-24-14(20-11)12(22)9-5-4-6-10(7-9)16(17,18)19/h4-8,12,22H,1-3H3,(H,21,23).
What are the key properties of N-tert-butyl-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
N-tert-butyl-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155557997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).