2-(3,3-difluorocyclopentyl)-N-ethyl-1-(1,3-thiazol-4-yl)ethanamine

C12H18F2N2S — CID 114224899

IUPAC2-(3,3-difluorocyclopentyl)-N-ethyl-1-(1,3-thiazol-4-yl)ethanamine
SMILESCCNC(CC1CCC(F)(F)C1)c1cscn1
InChIInChI=1S/C12H18F2N2S/c1-2-15-10(11-7-17-8-16-11)5-9-3-4-12(13,14)6-9/h7-10,15H,2-6H2,1H3
InChIKeyNNXYOUWJIRHUGG-UHFFFAOYSA-N
MW260.35 g/mol
LogP3.62
Rot. Bonds5

About 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(1,3-thiazol-4-yl)ethanamine

2-(3,3-difluorocyclopentyl)-N-ethyl-1-(1,3-thiazol-4-yl)ethanamine (PubChem CID 114224899) has the molecular formula C12H18F2N2S and a molecular weight of 260.35 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-N-ethyl-1-(1,3-thiazol-4-yl)ethanamine
PubChem CID114224899
Molecular FormulaC12H18F2N2S
Molecular Weight260.35 g/mol
Exact Mass260.12
IUPAC Name2-(3,3-difluorocyclopentyl)-N-ethyl-1-(1,3-thiazol-4-yl)ethanamine
SMILESCCNC(CC1CCC(F)(F)C1)c1cscn1
InChIInChI=1S/C12H18F2N2S/c1-2-15-10(11-7-17-8-16-11)5-9-3-4-12(13,14)6-9/h7-10,15H,2-6H2,1H3
InChIKeyNNXYOUWJIRHUGG-UHFFFAOYSA-N
XLogP3.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730469
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43730751
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747490
N-(1,3-thiazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 61171215
N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 61171406
N-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755090
N-[2-(1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 64757879
N-[2-(1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759630
4,4,4-trifluoro-N-methyl-1-(1,3-thiazol-4-yl)butan-1-amine
CID 80491821
4,4,4-Trifluoro-1-(1,3-thiazol-4-yl)butan-1-amine
CID 80492207
N-ethyl-4,4,4-trifluoro-1-(1,3-thiazol-4-yl)butan-1-amine
CID 80493250
4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-4-yl)butan-1-amine
CID 80493295

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(1,3-thiazol-4-yl)ethanamine (CID 114224899) is 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(1,3-thiazol-4-yl)ethanamine is CCNC(CC1CCC(F)(F)C1)c1cscn1.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is NNXYOUWJIRHUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2S/c1-2-15-10(11-7-17-8-16-11)5-9-3-4-12(13,14)6-9/h7-10,15H,2-6H2,1H3.
What are the key properties of 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(1,3-thiazol-4-yl)ethanamine?
2-(3,3-difluorocyclopentyl)-N-ethyl-1-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 260.35 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 114224899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).