1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine

C15H23F3N2S — CID 64755097

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCNC1(c2nc(C(C)(C)C)cs2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2S/c1-13(2,3)11-9-21-12(20-11)14(19-4)7-5-10(6-8-14)15(16,17)18/h9-10,19H,5-8H2,1-4H3
InChIKeyJWCBHRJGQLPABX-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.61
Rot. Bonds2

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64755097) has the molecular formula C15H23F3N2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64755097
Molecular FormulaC15H23F3N2S
Molecular Weight320.42 g/mol
Exact Mass320.15
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCNC1(c2nc(C(C)(C)C)cs2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2S/c1-13(2,3)11-9-21-12(20-11)14(19-4)7-5-10(6-8-14)15(16,17)18/h9-10,19H,5-8H2,1-4H3
InChIKeyJWCBHRJGQLPABX-UHFFFAOYSA-N
XLogP4.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine (CID 64755097) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine is CNC1(c2nc(C(C)(C)C)cs2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is JWCBHRJGQLPABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2S/c1-13(2,3)11-9-21-12(20-11)14(19-4)7-5-10(6-8-14)15(16,17)18/h9-10,19H,5-8H2,1-4H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 320.42 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64755097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).