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

C13H19F3N2S — CID 106783336

IUPAC(4,4-dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCC1(C)CCC(C(N)c2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C13H19F3N2S/c1-12(2)5-3-8(4-6-12)10(17)9-7-18-11(19-9)13(14,15)16/h7-8,10H,3-6,17H2,1-2H3
InChIKeyXFLLEPIEXKYHNJ-UHFFFAOYSA-N
MW292.37 g/mol
LogP4.38
Rot. Bonds2

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

(4,4-dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106783336) has the molecular formula C13H19F3N2S and a molecular weight of 292.37 g/mol. Its IUPAC name is (4,4-dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name(4,4-dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106783336
Molecular FormulaC13H19F3N2S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC Name(4,4-dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCC1(C)CCC(C(N)c2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C13H19F3N2S/c1-12(2)5-3-8(4-6-12)10(17)9-7-18-11(19-9)13(14,15)16/h7-8,10H,3-6,17H2,1-2H3
InChIKeyXFLLEPIEXKYHNJ-UHFFFAOYSA-N
XLogP4.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 157060119
CID 157060119
CID 167185113
CID 167185113
CID 54883385
CID 54883385
CID 54883527
CID 54883527
CID 54883528
CID 54883528
CID 61686724
CID 61686724
CID 61686725
CID 61686725
CID 61686769
CID 61686769

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of (4,4-dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106783336) is (4,4-dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for (4,4-dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for (4,4-dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is CC1(C)CCC(C(N)c2cnc(C(F)(F)F)s2)CC1.
What is the InChIKey of (4,4-dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is XFLLEPIEXKYHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2S/c1-12(2)5-3-8(4-6-12)10(17)9-7-18-11(19-9)13(14,15)16/h7-8,10H,3-6,17H2,1-2H3.
What are the key properties of (4,4-dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
(4,4-dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 292.37 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106783336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).