N-[2-(cyclohexen-1-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine

C15H21F3N2S — CID 106783681

IUPACN-[2-(cyclohexen-1-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(CC1=CCCCC1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C15H21F3N2S/c1-2-8-19-12(9-11-6-4-3-5-7-11)13-10-20-14(21-13)15(16,17)18/h6,10,12,19H,2-5,7-9H2,1H3
InChIKeyATLPUFZLLQGPCN-UHFFFAOYSA-N
MW318.41 g/mol
LogP5.09
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine

N-[2-(cyclohexen-1-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 106783681) has the molecular formula C15H21F3N2S and a molecular weight of 318.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID106783681
Molecular FormulaC15H21F3N2S
Molecular Weight318.41 g/mol
Exact Mass318.14
IUPAC NameN-[2-(cyclohexen-1-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(CC1=CCCCC1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C15H21F3N2S/c1-2-8-19-12(9-11-6-4-3-5-7-11)13-10-20-14(21-13)15(16,17)18/h6,10,12,19H,2-5,7-9H2,1H3
InChIKeyATLPUFZLLQGPCN-UHFFFAOYSA-N
XLogP5.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.41
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine with MolForge

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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 N-[2-(cyclohexen-1-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 106783681) is N-[2-(cyclohexen-1-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(CC1=CCCCC1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is ATLPUFZLLQGPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2S/c1-2-8-19-12(9-11-6-4-3-5-7-11)13-10-20-14(21-13)15(16,17)18/h6,10,12,19H,2-5,7-9H2,1H3.
What are the key properties of N-[2-(cyclohexen-1-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[2-(cyclohexen-1-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 318.41 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 106783681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).