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

C13H19F3N2S — CID 106784159

IUPACN-ethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cycloheptan-1-amine
SMILESCCNC1CCCCC(c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C13H19F3N2S/c1-2-17-10-6-4-3-5-9(7-10)11-8-18-12(19-11)13(14,15)16/h8-10,17H,2-7H2,1H3
InChIKeyVKRCCCBUKOTSED-UHFFFAOYSA-N
MW292.37 g/mol
LogP4.19
Rot. Bonds3

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

N-ethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cycloheptan-1-amine (PubChem CID 106784159) has the molecular formula C13H19F3N2S and a molecular weight of 292.37 g/mol. Its IUPAC name is N-ethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cycloheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cycloheptan-1-amine
PubChem CID106784159
Molecular FormulaC13H19F3N2S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC NameN-ethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cycloheptan-1-amine
SMILESCCNC1CCCCC(c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C13H19F3N2S/c1-2-17-10-6-4-3-5-9(7-10)11-8-18-12(19-11)13(14,15)16/h8-10,17H,2-7H2,1H3
InChIKeyVKRCCCBUKOTSED-UHFFFAOYSA-N
XLogP4.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 68055880
5-(7-Azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 90902428
5-Butan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 144868136
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-[(4-Fluoropiperidin-4-yl)methyl]-2-methyl-1,3-thiazole
CID 163385852
5-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethyl)-1,3-thiazole
CID 166826846
5-Octan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 167185113
5-(1,1-Difluoro-2-methylbutyl)-2-methyl-1,3-thiazole
CID 170423974
4,4-difluoro-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 176397657
1-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine
CID 84770835

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cycloheptan-1-amine?
The IUPAC name of N-ethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cycloheptan-1-amine (CID 106784159) is N-ethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cycloheptan-1-amine.
What is the SMILES notation for N-ethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cycloheptan-1-amine?
The canonical SMILES for N-ethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cycloheptan-1-amine is CCNC1CCCCC(c2cnc(C(F)(F)F)s2)C1.
What is the InChIKey of N-ethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cycloheptan-1-amine?
The InChIKey is VKRCCCBUKOTSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2S/c1-2-17-10-6-4-3-5-9(7-10)11-8-18-12(19-11)13(14,15)16/h8-10,17H,2-7H2,1H3.
What are the key properties of N-ethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cycloheptan-1-amine?
N-ethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cycloheptan-1-amine has a molecular weight of 292.37 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cycloheptan-1-amine is sourced from PubChem (CID 106784159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).