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

C13H17F3N2S — CID 64756129

IUPACN-cyclopropyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NC2CC2)(c2nccs2)CC1
InChIInChI=1S/C13H17F3N2S/c14-13(15,16)9-3-5-12(6-4-9,18-10-1-2-10)11-17-7-8-19-11/h7-10,18H,1-6H2
InChIKeyAFPGYXSVGOMZDZ-UHFFFAOYSA-N
MW290.35 g/mol
LogP3.84
Rot. Bonds3

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

N-cyclopropyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64756129) has the molecular formula C13H17F3N2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-cyclopropyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64756129
Molecular FormulaC13H17F3N2S
Molecular Weight290.35 g/mol
Exact Mass290.11
IUPAC NameN-cyclopropyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NC2CC2)(c2nccs2)CC1
InChIInChI=1S/C13H17F3N2S/c14-13(15,16)9-3-5-12(6-4-9,18-10-1-2-10)11-17-7-8-19-11/h7-10,18H,1-6H2
InChIKeyAFPGYXSVGOMZDZ-UHFFFAOYSA-N
XLogP3.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-cyclopropyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64756129) is N-cyclopropyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-cyclopropyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-cyclopropyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCC(NC2CC2)(c2nccs2)CC1.
What is the InChIKey of N-cyclopropyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is AFPGYXSVGOMZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2S/c14-13(15,16)9-3-5-12(6-4-9,18-10-1-2-10)11-17-7-8-19-11/h7-10,18H,1-6H2.
What are the key properties of N-cyclopropyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-cyclopropyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 290.35 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64756129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).