(4S)-4-methyl-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine

C11H11F3N2S — CID 7157482

IUPAC(4S)-4-methyl-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESC[C@H]1CSC(Nc2cccc(C(F)(F)F)c2)=N1
InChIInChI=1S/C11H11F3N2S/c1-7-6-17-10(15-7)16-9-4-2-3-8(5-9)11(12,13)14/h2-5,7H,6H2,1H3,(H,15,16)/t7-/m0/s1
InChIKeyKTRPOKUCUNGELK-ZETCQYMHSA-N
MW260.28 g/mol
LogP3.61
Rot. Bonds1

About (4S)-4-methyl-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine

(4S)-4-methyl-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 7157482) has the molecular formula C11H11F3N2S and a molecular weight of 260.28 g/mol. Its IUPAC name is (4S)-4-methyl-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(4S)-4-methyl-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID7157482
Molecular FormulaC11H11F3N2S
Molecular Weight260.28 g/mol
Exact Mass260.06
IUPAC Name(4S)-4-methyl-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESC[C@H]1CSC(Nc2cccc(C(F)(F)F)c2)=N1
InChIInChI=1S/C11H11F3N2S/c1-7-6-17-10(15-7)16-9-4-2-3-8(5-9)11(12,13)14/h2-5,7H,6H2,1H3,(H,15,16)/t7-/m0/s1
InChIKeyKTRPOKUCUNGELK-ZETCQYMHSA-N
XLogP3.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 79246569
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351157
N-[2-chloro-6-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43382040
5-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 107153737
1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 159276710
N-[3-chloro-5-(trifluoromethyl)phenyl]-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 116700612
N-(2,6-dimethylcyclohexyl)-3-(trifluoromethyl)aniline
CID 43104879
1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 117027255
2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline
CID 82536810
N-(3-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61245945
2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 11696916
[4-propyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol
CID 58496121

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (4S)-4-methyl-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 7157482) is (4S)-4-methyl-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (4S)-4-methyl-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (4S)-4-methyl-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine is C[C@H]1CSC(Nc2cccc(C(F)(F)F)c2)=N1.
What is the InChIKey of (4S)-4-methyl-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is KTRPOKUCUNGELK-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11F3N2S/c1-7-6-17-10(15-7)16-9-4-2-3-8(5-9)11(12,13)14/h2-5,7H,6H2,1H3,(H,15,16)/t7-/m0/s1.
What are the key properties of (4S)-4-methyl-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
(4S)-4-methyl-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 260.28 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 7157482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).