[4-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamic acid

C15H15F3N2O2S — CID 67144734

IUPAC[4-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamic acid
SMILESO=C(O)NC(CCc1nccs1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O2S/c16-15(17,18)11-3-1-10(2-4-11)9-12(20-14(21)22)5-6-13-19-7-8-23-13/h1-4,7-8,12,20H,5-6,9H2,(H,21,22)
InChIKeyRSOBLBCYJZUFNH-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.97
Rot. Bonds6

About [4-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamic acid

[4-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamic acid (PubChem CID 67144734) has the molecular formula C15H15F3N2O2S and a molecular weight of 344.36 g/mol. Its IUPAC name is [4-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamic acid.

Molecular Properties

Compound Name[4-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamic acid
PubChem CID67144734
Molecular FormulaC15H15F3N2O2S
Molecular Weight344.36 g/mol
Exact Mass344.08
IUPAC Name[4-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamic acid
SMILESO=C(O)NC(CCc1nccs1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O2S/c16-15(17,18)11-3-1-10(2-4-11)9-12(20-14(21)22)5-6-13-19-7-8-23-13/h1-4,7-8,12,20H,5-6,9H2,(H,21,22)
InChIKeyRSOBLBCYJZUFNH-UHFFFAOYSA-N
XLogP3.97
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
CID 90922918
tert-butyl N-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate
CID 58488207
tert-butyl N-[(2R)-4-[5-(3-fluoroisoquinolin-6-yl)-1,3-thiazol-2-yl]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate
CID 86658899
[1-[(4-bromo-1,3-thiazol-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamic acid
CID 68992270
2-methyl-4-[4-(trifluoromethyl)phenyl]butanoic acid
CID 81007800
2-[[4-(trifluoromethyl)phenyl]methyl]butanedioic acid
CID 18948511
3-ethoxy-3-oxo-2-[[4-(trifluoromethyl)phenyl]methyl]propanoic acid
CID 103973539
ethyl 2-chloro-3-[4-(trifluoromethyl)phenyl]propanoate
CID 83194781
1-(2-methylthiophen-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 102842312
N-(1,3-thiazol-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 61286204
1,3-thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanone
CID 10038071
N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide
CID 110696023

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamic acid?
The IUPAC name of [4-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamic acid (CID 67144734) is [4-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamic acid.
What is the SMILES notation for [4-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamic acid?
The canonical SMILES for [4-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamic acid is O=C(O)NC(CCc1nccs1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamic acid?
The InChIKey is RSOBLBCYJZUFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2S/c16-15(17,18)11-3-1-10(2-4-11)9-12(20-14(21)22)5-6-13-19-7-8-23-13/h1-4,7-8,12,20H,5-6,9H2,(H,21,22).
What are the key properties of [4-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamic acid?
[4-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamic acid has a molecular weight of 344.36 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamic acid is sourced from PubChem (CID 67144734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).