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

C10H9F3N2S — CID 70858329

IUPAC4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESNC1=NC(c2ccc(C(F)(F)F)cc2)CS1
InChIInChI=1S/C10H9F3N2S/c11-10(12,13)7-3-1-6(2-4-7)8-5-16-9(14)15-8/h1-4,8H,5H2,(H2,14,15)
InChIKeyAONOTTUVRZQBTH-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.81
Rot. Bonds1

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

4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 70858329) has the molecular formula C10H9F3N2S and a molecular weight of 246.26 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID70858329
Molecular FormulaC10H9F3N2S
Molecular Weight246.26 g/mol
Exact Mass246.04
IUPAC Name4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESNC1=NC(c2ccc(C(F)(F)F)cc2)CS1
InChIInChI=1S/C10H9F3N2S/c11-10(12,13)7-3-1-6(2-4-7)8-5-16-9(14)15-8/h1-4,8H,5H2,(H2,14,15)
InChIKeyAONOTTUVRZQBTH-UHFFFAOYSA-N
XLogP2.81
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Thiazoline, 2-((m-trifluoromethylbenzyl)amino)-
CID 3055294
(4s)-4-(2,4-Difluorophenyl)-4-Methyl-5,6-Dihydro-4h-1,3-Thiazin-2-Amine
CID 90657111
4-Phenyl-thiazolidin-(2E)-ylideneamine
CID 13196077
(4S)-4-methyl-4-phenyl-5,6-dihydro-1,3-thiazin-2-amine
CID 59374749
4-(4-Fluorophenyl)-6-phenyl-4 h-1,3-thiazin-2-amine
CID 11185215
2-(4-Methylphenyl)-2-(trifluoromethyl)-2,5-di-hydro-1,3-thiazole
CID 129759454
4-(3,4-Difluorophenyl)-6-phenyl-4 h-1,3-thiazin-2-amine
CID 129874407
4-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 12402628
methyl N-[bis(4-fluorophenyl)methyl]imidothiocarbamate
CID 6341940
[3-[1-[4-(Trifluoromethyl)phenyl]ethyl]-1,3-thiazolidin-2-ylidene]cyanamide
CID 12056895
1-(Diaminomethylidene)-2-[1-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 18432382
4-[[3-(Trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 54102121

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 70858329) is 4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine is NC1=NC(c2ccc(C(F)(F)F)cc2)CS1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is AONOTTUVRZQBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2S/c11-10(12,13)7-3-1-6(2-4-7)8-5-16-9(14)15-8/h1-4,8H,5H2,(H2,14,15).
What are the key properties of 4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 246.26 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 70858329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).