5,5-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine

C12H15F3N2S — CID 106784193

IUPAC5,5-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine
SMILESCC1(C)CC(c2cnc(C(F)(F)F)s2)=CC(N)C1
InChIInChI=1S/C12H15F3N2S/c1-11(2)4-7(3-8(16)5-11)9-6-17-10(18-9)12(13,14)15/h3,6,8H,4-5,16H2,1-2H3
InChIKeyBCGDMHFGZANUHP-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.69
Rot. Bonds1

About 5,5-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine

5,5-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine (PubChem CID 106784193) has the molecular formula C12H15F3N2S and a molecular weight of 276.33 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine
PubChem CID106784193
Molecular FormulaC12H15F3N2S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC Name5,5-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine
SMILESCC1(C)CC(c2cnc(C(F)(F)F)s2)=CC(N)C1
InChIInChI=1S/C12H15F3N2S/c1-11(2)4-7(3-8(16)5-11)9-6-17-10(18-9)12(13,14)15/h3,6,8H,4-5,16H2,1-2H3
InChIKeyBCGDMHFGZANUHP-UHFFFAOYSA-N
XLogP3.69
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2E)-3-cyclobutyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]penta-2,4-dien-2-amine
CID 169169287
1-[2-[(3,5-Difluorophenyl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 62653354
1-[2-[(2,4-Difluorophenyl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 64559290
1-[4-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]phenyl]propan-2-amine
CID 105547202
N-methyl-1-[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]propan-2-amine
CID 105547203
2-(4-Fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106782983
Cyclohexyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106782992
N-methyl-2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783008
N-ethyl-2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783009
N-[2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783010
N-[phenyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106783038
N-[phenyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106783039

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine?
The IUPAC name of 5,5-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine (CID 106784193) is 5,5-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine.
What is the SMILES notation for 5,5-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine?
The canonical SMILES for 5,5-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine is CC1(C)CC(c2cnc(C(F)(F)F)s2)=CC(N)C1.
What is the InChIKey of 5,5-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine?
The InChIKey is BCGDMHFGZANUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2S/c1-11(2)4-7(3-8(16)5-11)9-6-17-10(18-9)12(13,14)15/h3,6,8H,4-5,16H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine?
5,5-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine has a molecular weight of 276.33 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine is sourced from PubChem (CID 106784193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).