2-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine

C13H17F3N2S — CID 106783679

IUPAC2-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(CC1=CCCCC1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H17F3N2S/c1-17-10(7-9-5-3-2-4-6-9)11-8-18-12(19-11)13(14,15)16/h5,8,10,17H,2-4,6-7H2,1H3
InChIKeyFHMWJMLAYCFEDC-UHFFFAOYSA-N
MW290.35 g/mol
LogP4.31
Rot. Bonds4

About 2-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine

2-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 106783679) has the molecular formula C13H17F3N2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID106783679
Molecular FormulaC13H17F3N2S
Molecular Weight290.35 g/mol
Exact Mass290.11
IUPAC Name2-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(CC1=CCCCC1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H17F3N2S/c1-17-10(7-9-5-3-2-4-6-9)11-8-18-12(19-11)13(14,15)16/h5,8,10,17H,2-4,6-7H2,1H3
InChIKeyFHMWJMLAYCFEDC-UHFFFAOYSA-N
XLogP4.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-5-[[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-1,3-thiazole
CID 71011209
1-Methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-amine
CID 117721483
N-methyl-1-[2-[(1E,3Z)-6,6,6-trifluoro-1-(methylideneamino)hexa-1,3-dien-2-yl]-1,3-thiazol-5-yl]ethanamine
CID 130390600
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
N-[4-methyl-2-(1,3-thiazol-5-yl)-1,2,3,6-tetrahydropyridin-6-yl]-4-(trifluoromethyl)-3,4-dihydropyridin-6-amine
CID 144624517
N-[1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 79964751
4,4,4-trifluoro-N-methyl-1-(1,3-thiazol-5-yl)butan-1-amine
CID 80476984
N-ethyl-4,4,4-trifluoro-1-(1,3-thiazol-5-yl)butan-1-amine
CID 80477857
4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-5-yl)butan-1-amine
CID 80478980
1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 84779120
1-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine
CID 84787496
5-(1,1-Difluoroethyl)-2-(piperidin-2-ylmethyl)-1,3-thiazole
CID 84803180

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (CID 106783679) is 2-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is CNC(CC1=CCCCC1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is FHMWJMLAYCFEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2S/c1-17-10(7-9-5-3-2-4-6-9)11-8-18-12(19-11)13(14,15)16/h5,8,10,17H,2-4,6-7H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
2-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 290.35 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 106783679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).