(4-tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

C15H23F3N2S — CID 106783347

IUPAC(4-tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)(C)C1CCC(C(N)c2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C15H23F3N2S/c1-14(2,3)10-6-4-9(5-7-10)12(19)11-8-20-13(21-11)15(16,17)18/h8-10,12H,4-7,19H2,1-3H3
InChIKeyOYTAJRZYJACIJY-UHFFFAOYSA-N
MW320.42 g/mol
LogP5.01
Rot. Bonds2

About (4-tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

(4-tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106783347) has the molecular formula C15H23F3N2S and a molecular weight of 320.42 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106783347
Molecular FormulaC15H23F3N2S
Molecular Weight320.42 g/mol
Exact Mass320.15
IUPAC Name(4-tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)(C)C1CCC(C(N)c2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C15H23F3N2S/c1-14(2,3)10-6-4-9(5-7-10)12(19)11-8-20-13(21-11)15(16,17)18/h8-10,12H,4-7,19H2,1-3H3
InChIKeyOYTAJRZYJACIJY-UHFFFAOYSA-N
XLogP5.01
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.42
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of (4-tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106783347) is (4-tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for (4-tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for (4-tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is CC(C)(C)C1CCC(C(N)c2cnc(C(F)(F)F)s2)CC1.
What is the InChIKey of (4-tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is OYTAJRZYJACIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2S/c1-14(2,3)10-6-4-9(5-7-10)12(19)11-8-20-13(21-11)15(16,17)18/h8-10,12H,4-7,19H2,1-3H3.
What are the key properties of (4-tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
(4-tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 320.42 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106783347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).