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

C13H19F3N2S — CID 64756126

IUPACN-propyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCNC1(c2nccs2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2S/c1-2-7-18-12(11-17-8-9-19-11)5-3-10(4-6-12)13(14,15)16/h8-10,18H,2-7H2,1H3
InChIKeyXKNIYNBQUNFDGS-UHFFFAOYSA-N
MW292.37 g/mol
LogP4.09
Rot. Bonds4

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

N-propyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64756126) has the molecular formula C13H19F3N2S and a molecular weight of 292.37 g/mol. Its IUPAC name is N-propyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-propyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64756126
Molecular FormulaC13H19F3N2S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC NameN-propyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCNC1(c2nccs2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2S/c1-2-7-18-12(11-17-8-9-19-11)5-3-10(4-6-12)13(14,15)16/h8-10,18H,2-7H2,1H3
InChIKeyXKNIYNBQUNFDGS-UHFFFAOYSA-N
XLogP4.09
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 ≤ 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
3-fluoro-N-methyl-3-(1,3-thiazol-2-yl)pentan-1-amine
CID 71190891
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-[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
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
N-methyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754918
N-propan-2-yl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755103

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-propyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64756126) is N-propyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-propyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-propyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is CCCNC1(c2nccs2)CCC(C(F)(F)F)CC1.
What is the InChIKey of N-propyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is XKNIYNBQUNFDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2S/c1-2-7-18-12(11-17-8-9-19-11)5-3-10(4-6-12)13(14,15)16/h8-10,18H,2-7H2,1H3.
What are the key properties of N-propyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-propyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 292.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64756126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).