N-(1-phenylethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

C12H11F3N2S — CID 53443796

IUPACN-(1-phenylethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC(Nc1nc(C(F)(F)F)cs1)c1ccccc1
InChIInChI=1S/C12H11F3N2S/c1-8(9-5-3-2-4-6-9)16-11-17-10(7-18-11)12(13,14)15/h2-8H,1H3,(H,16,17)
InChIKeyGAYSQMNDOBUGBZ-UHFFFAOYSA-N
MW272.30 g/mol
LogP4.34
Rot. Bonds3

About N-(1-phenylethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-(1-phenylethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 53443796) has the molecular formula C12H11F3N2S and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(1-phenylethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID53443796
Molecular FormulaC12H11F3N2S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC NameN-(1-phenylethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC(Nc1nc(C(F)(F)F)cs1)c1ccccc1
InChIInChI=1S/C12H11F3N2S/c1-8(9-5-3-2-4-6-9)16-11-17-10(7-18-11)12(13,14)15/h2-8H,1H3,(H,16,17)
InChIKeyGAYSQMNDOBUGBZ-UHFFFAOYSA-N
XLogP4.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]benzonitrile
CID 138043177
N-[(1R)-1-phenylethyl]-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2464196
4-chloro-N-(1-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 82461228
4-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1,3-thiazol-2-amine
CID 4969311
N-(2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 175598206
4-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3-thiazol-2-amine
CID 2536248
2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]butan-1-ol
CID 133365985
2-methyl-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 78863556
N-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 2560713
4,6-difluoro-N-(1-phenylethyl)-1,3,5-triazin-2-amine
CID 19897292
(2R)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanal
CID 87085958
N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine
CID 28533165

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(1-phenylethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 53443796) is N-(1-phenylethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-phenylethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-phenylethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is CC(Nc1nc(C(F)(F)F)cs1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is GAYSQMNDOBUGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2S/c1-8(9-5-3-2-4-6-9)16-11-17-10(7-18-11)12(13,14)15/h2-8H,1H3,(H,16,17).
What are the key properties of N-(1-phenylethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-(1-phenylethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 272.30 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 53443796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).