N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine

C13H19F3N2S — CID 105178109

IUPACN-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCNC(Cc1cncs1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2S/c1-17-12(6-11-7-18-8-19-11)9-2-4-10(5-3-9)13(14,15)16/h7-10,12,17H,2-6H2,1H3
InChIKeyCITWQNCZJPIDGO-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.64
Rot. Bonds4

About N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine

N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine (PubChem CID 105178109) has the molecular formula C13H19F3N2S and a molecular weight of 292.37 g/mol. Its IUPAC name is N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
PubChem CID105178109
Molecular FormulaC13H19F3N2S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC NameN-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCNC(Cc1cncs1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2S/c1-17-12(6-11-7-18-8-19-11)9-2-4-10(5-3-9)13(14,15)16/h7-10,12,17H,2-6H2,1H3
InChIKeyCITWQNCZJPIDGO-UHFFFAOYSA-N
XLogP3.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

US9670136, 6 N1-((trans)-2-(thiazol-5-yl)cyclopropyl)cyclohexane-1,4-diamine
CID 90395370
5-(7-Azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 90902428
5-(7-Azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-1,3-thiazole
CID 91381597
4-[2-(Difluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
CID 146435255
5-Nonan-3-yl-2-(trifluoromethyl)-1,3-thiazole
CID 146558774
2-Propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole
CID 157060119
5-Octan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 167185113
4,4-difluoro-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 176397657
1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine
CID 84787496
4,4,4-Trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312251
4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312252
N-ethyl-4,4,4-trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312253

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The IUPAC name of N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine (CID 105178109) is N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine.
What is the SMILES notation for N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The canonical SMILES for N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine is CNC(Cc1cncs1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The InChIKey is CITWQNCZJPIDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2S/c1-17-12(6-11-7-18-8-19-11)9-2-4-10(5-3-9)13(14,15)16/h7-10,12,17H,2-6H2,1H3.
What are the key properties of N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine has a molecular weight of 292.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 105178109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).