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

C11H11F3N2S — CID 54102121

IUPAC4-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESNC1=NC(Cc2cccc(C(F)(F)F)c2)CS1
InChIInChI=1S/C11H11F3N2S/c12-11(13,14)8-3-1-2-7(4-8)5-9-6-17-10(15)16-9/h1-4,9H,5-6H2,(H2,15,16)
InChIKeyNBFHZGOKDSOMMQ-UHFFFAOYSA-N
MW260.28 g/mol
LogP2.68
Rot. Bonds2

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

4-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 54102121) has the molecular formula C11H11F3N2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 4-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID54102121
Molecular FormulaC11H11F3N2S
Molecular Weight260.28 g/mol
Exact Mass260.06
IUPAC Name4-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESNC1=NC(Cc2cccc(C(F)(F)F)c2)CS1
InChIInChI=1S/C11H11F3N2S/c12-11(13,14)8-3-1-2-7(4-8)5-9-6-17-10(15)16-9/h1-4,9H,5-6H2,(H2,15,16)
InChIKeyNBFHZGOKDSOMMQ-UHFFFAOYSA-N
XLogP2.68
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Thiazoline, 2-((m-trifluoromethylbenzyl)amino)-
CID 3055294
4-Phenyl-thiazolidin-(2E)-ylideneamine
CID 13196077
N-[2-(4-fluorophenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine
CID 135934566
4-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 12402628
4,5-Dihydro-N-(2,2,2-trifluoro-1-phenylethyl)-2-thiazolamine
CID 54168734
3-[(4-Fluorophenyl)methyl]-1-(3,4,4-trifluorobut-3-enyl)-1lambda4-thia-2,4-diazacyclopenta-1,4-diene
CID 57046014
N-(alpha-phenyltrifluoroethyl) S-methyl isothio Urea
CID 57061881
methyl N'-[1-(2-fluoro-5-methylphenyl)ethyl]carbamimidothioate
CID 58056075
4-(4-Fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 69441997
2-({[3-(Trifluoromethyl)phenyl]methyl}sulfanyl)-4,5-dihydro-1H-imidazole
CID 69545992
(4R)-2,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole
CID 70297719
(4R)-5-(3-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 70299695

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 54102121) is 4-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine is NC1=NC(Cc2cccc(C(F)(F)F)c2)CS1.
What is the InChIKey of 4-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is NBFHZGOKDSOMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2S/c12-11(13,14)8-3-1-2-7(4-8)5-9-6-17-10(15)16-9/h1-4,9H,5-6H2,(H2,15,16).
What are the key properties of 4-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine?
4-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 260.28 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 54102121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).