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

C15H23F3N2S — CID 79827665

IUPAC1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(C)(C)c1csc(CC2(N)CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C15H23F3N2S/c1-13(2,3)11-9-21-12(20-11)8-14(19)6-4-10(5-7-14)15(16,17)18/h9-10H,4-8,19H2,1-3H3
InChIKeyURYSOTHOBQLGLH-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.43
Rot. Bonds2

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

1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 79827665) 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)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID79827665
Molecular FormulaC15H23F3N2S
Molecular Weight320.42 g/mol
Exact Mass320.15
IUPAC Name1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(C)(C)c1csc(CC2(N)CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C15H23F3N2S/c1-13(2,3)11-9-21-12(20-11)8-14(19)6-4-10(5-7-14)15(16,17)18/h9-10H,4-8,19H2,1-3H3
InChIKeyURYSOTHOBQLGLH-UHFFFAOYSA-N
XLogP4.43
TPSA38.91 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 ≤ 54.43
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)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 79827665) is 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is CC(C)(C)c1csc(CC2(N)CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is URYSOTHOBQLGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2S/c1-13(2,3)11-9-21-12(20-11)8-14(19)6-4-10(5-7-14)15(16,17)18/h9-10H,4-8,19H2,1-3H3.
What are the key properties of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 320.42 g/mol, XLogP of 4.43, 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)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 79827665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).