N-propan-2-yl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine

C13H19F3N2S — CID 64755103

IUPACN-propan-2-yl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(C)NC1(c2nccs2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2S/c1-9(2)18-12(11-17-7-8-19-11)5-3-10(4-6-12)13(14,15)16/h7-10,18H,3-6H2,1-2H3
InChIKeyXNKGENBMAVBRIS-UHFFFAOYSA-N
MW292.37 g/mol
LogP4.09
Rot. Bonds3

About N-propan-2-yl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine

N-propan-2-yl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64755103) has the molecular formula C13H19F3N2S and a molecular weight of 292.37 g/mol. Its IUPAC name is N-propan-2-yl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64755103
Molecular FormulaC13H19F3N2S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC NameN-propan-2-yl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(C)NC1(c2nccs2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2S/c1-9(2)18-12(11-17-7-8-19-11)5-3-10(4-6-12)13(14,15)16/h7-10,18H,3-6H2,1-2H3
InChIKeyXNKGENBMAVBRIS-UHFFFAOYSA-N
XLogP4.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 64488437
2-(4,4-Difluorocyclohexyl)-1,3-thiazole
CID 174915691
N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 55248891
N-(1,3-thiazol-2-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 63001462
N-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 63001677
N-(2,2-difluoroethyl)-1-(1,3-thiazol-2-yl)propan-1-amine
CID 64481589
1-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 64482803
N-[1-(1,3-thiazol-2-yl)propyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 64488016
N-[1-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 64489233
3,3,3-trifluoro-N-[1-(1,3-thiazol-2-yl)propyl]propan-1-amine
CID 64553369
N-[2-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754275
1-(1,3-Thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754911

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-propan-2-yl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64755103) is N-propan-2-yl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-propan-2-yl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-propan-2-yl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is CC(C)NC1(c2nccs2)CCC(C(F)(F)F)CC1.
What is the InChIKey of N-propan-2-yl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is XNKGENBMAVBRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2S/c1-9(2)18-12(11-17-7-8-19-11)5-3-10(4-6-12)13(14,15)16/h7-10,18H,3-6H2,1-2H3.
What are the key properties of N-propan-2-yl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-propan-2-yl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 292.37 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64755103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).