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

C10H11F3N2S — CID 106784192

IUPAC3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine
SMILESNC1C=C(c2cnc(C(F)(F)F)s2)CCC1
InChIInChI=1S/C10H11F3N2S/c11-10(12,13)9-15-5-8(16-9)6-2-1-3-7(14)4-6/h4-5,7H,1-3,14H2
InChIKeyPBJTXBWPWKJWQC-UHFFFAOYSA-N
MW248.27 g/mol
LogP3.06
Rot. Bonds1

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

3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine (PubChem CID 106784192) has the molecular formula C10H11F3N2S and a molecular weight of 248.27 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine
PubChem CID106784192
Molecular FormulaC10H11F3N2S
Molecular Weight248.27 g/mol
Exact Mass248.06
IUPAC Name3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine
SMILESNC1C=C(c2cnc(C(F)(F)F)s2)CCC1
InChIInChI=1S/C10H11F3N2S/c11-10(12,13)9-15-5-8(16-9)6-2-1-3-7(14)4-6/h4-5,7H,1-3,14H2
InChIKeyPBJTXBWPWKJWQC-UHFFFAOYSA-N
XLogP3.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,3-Thiazol-5-yl)-1,2,3,6-tetrahydropyridine dihydrochloride
CID 145994643
2-Methyl-5-[[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-1,3-thiazole
CID 71011209
N-methyl-1-[2-[(3E,5Z)-2-(trifluoromethyl)hepta-1,3,5-trien-4-yl]-1,3-thiazol-5-yl]propan-1-amine
CID 130390607
(2E)-3-cyclobutyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]penta-2,4-dien-2-amine
CID 169169287
3-Phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783089
2-(3,5-Difluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783098
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine
CID 106783466
2-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783679
2-(cyclohexen-1-yl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783680
N-[2-(cyclohexen-1-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783681
5-(1,2,3,6-Tetrahydropyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784090
5-(2,5-dihydro-1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784091

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine?
The IUPAC name of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine (CID 106784192) is 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine.
What is the SMILES notation for 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine?
The canonical SMILES for 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine is NC1C=C(c2cnc(C(F)(F)F)s2)CCC1.
What is the InChIKey of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine?
The InChIKey is PBJTXBWPWKJWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2S/c11-10(12,13)9-15-5-8(16-9)6-2-1-3-7(14)4-6/h4-5,7H,1-3,14H2.
What are the key properties of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine?
3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine has a molecular weight of 248.27 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine is sourced from PubChem (CID 106784192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).