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

C12H17F3N2S — CID 106783141

IUPAC(4-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCC1CCC(C(N)c2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C12H17F3N2S/c1-7-2-4-8(5-3-7)10(16)9-6-17-11(18-9)12(13,14)15/h6-8,10H,2-5,16H2,1H3
InChIKeySWGTZDNYXMCOJB-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.99
Rot. Bonds2

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

(4-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106783141) has the molecular formula C12H17F3N2S and a molecular weight of 278.34 g/mol. Its IUPAC name is (4-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name(4-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106783141
Molecular FormulaC12H17F3N2S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC Name(4-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCC1CCC(C(N)c2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C12H17F3N2S/c1-7-2-4-8(5-3-7)10(16)9-6-17-11(18-9)12(13,14)15/h6-8,10H,2-5,16H2,1H3
InChIKeySWGTZDNYXMCOJB-UHFFFAOYSA-N
XLogP3.99
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(7-Azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 90902428
1-Methyl-2-(1,3-thiazol-5-yl)-2-(trifluoromethyl)piperidin-4-amine
CID 117721481
1-Methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-amine
CID 117721483
2-[2-(4,4-Difluorocyclohexyl)-1,3-thiazol-5-yl]-2-(4,4-difluoropiperidin-1-yl)ethanamine
CID 124183601
1-[2-[(Z)-1-(2,2,2-trifluoroethylideneamino)pent-1-en-3-yl]-1,3-thiazol-5-yl]ethanamine
CID 130390733
4-[2-(Difluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
CID 146435255
5-Nonan-3-yl-2-(trifluoromethyl)-1,3-thiazole
CID 146558774
2-Propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole
CID 157060119
5-Octan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 167185113
5-[(1-Fluorocyclohexyl)methyl]-2-methyl-1,3-thiazole
CID 170152111
4,4-difluoro-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 176397657
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 54883385

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of (4-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106783141) is (4-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for (4-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for (4-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is CC1CCC(C(N)c2cnc(C(F)(F)F)s2)CC1.
What is the InChIKey of (4-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is SWGTZDNYXMCOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2S/c1-7-2-4-8(5-3-7)10(16)9-6-17-11(18-9)12(13,14)15/h6-8,10H,2-5,16H2,1H3.
What are the key properties of (4-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
(4-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 278.34 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106783141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).