N-[2-(1,3-thiazol-5-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine

C15H23F3N2S — CID 105178037

IUPACN-[2-(1,3-thiazol-5-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
SMILESCCCNC(Cc1cncs1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H23F3N2S/c1-2-7-20-14(8-11-9-19-10-21-11)12-5-3-4-6-13(12)15(16,17)18/h9-10,12-14,20H,2-8H2,1H3
InChIKeyGLIGZOKNNAFTTK-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.42
Rot. Bonds6

About N-[2-(1,3-thiazol-5-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine

N-[2-(1,3-thiazol-5-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine (PubChem CID 105178037) has the molecular formula C15H23F3N2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-5-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-5-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
PubChem CID105178037
Molecular FormulaC15H23F3N2S
Molecular Weight320.42 g/mol
Exact Mass320.15
IUPAC NameN-[2-(1,3-thiazol-5-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
SMILESCCCNC(Cc1cncs1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H23F3N2S/c1-2-7-20-14(8-11-9-19-10-21-11)12-5-3-4-6-13(12)15(16,17)18/h9-10,12-14,20H,2-8H2,1H3
InChIKeyGLIGZOKNNAFTTK-UHFFFAOYSA-N
XLogP4.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.42
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-[2-(1,3-thiazol-5-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-(1,3-thiazol-5-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine (CID 105178037) is N-[2-(1,3-thiazol-5-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1,3-thiazol-5-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1,3-thiazol-5-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine is CCCNC(Cc1cncs1)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-[2-(1,3-thiazol-5-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine?
The InChIKey is GLIGZOKNNAFTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2S/c1-2-7-20-14(8-11-9-19-10-21-11)12-5-3-4-6-13(12)15(16,17)18/h9-10,12-14,20H,2-8H2,1H3.
What are the key properties of N-[2-(1,3-thiazol-5-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine?
N-[2-(1,3-thiazol-5-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine has a molecular weight of 320.42 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-5-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine is sourced from PubChem (CID 105178037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).