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

C11H17F2N3S — CID 114225771

IUPAC2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine
SMILESCCNC(CC1CCC(F)(F)C1)c1csnn1
InChIInChI=1S/C11H17F2N3S/c1-2-14-9(10-7-17-16-15-10)5-8-3-4-11(12,13)6-8/h7-9,14H,2-6H2,1H3
InChIKeyMXLVVDPYUBJAML-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.01
Rot. Bonds5

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

2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine (PubChem CID 114225771) has the molecular formula C11H17F2N3S and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine
PubChem CID114225771
Molecular FormulaC11H17F2N3S
Molecular Weight261.34 g/mol
Exact Mass261.11
IUPAC Name2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine
SMILESCCNC(CC1CCC(F)(F)C1)c1csnn1
InChIInChI=1S/C11H17F2N3S/c1-2-14-9(10-7-17-16-15-10)5-8-3-4-11(12,13)6-8/h7-9,14H,2-6H2,1H3
InChIKeyMXLVVDPYUBJAML-UHFFFAOYSA-N
XLogP3.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,3-difluorocyclopentyl)-N-ethyl-1-(1,3-thiazol-4-yl)ethanamine
CID 114224899
2-(3,3-difluorocyclopentyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
CID 114224922
1-(2-chlorofuran-3-yl)-2-(3,3-difluorocyclopentyl)-N-ethylethanamine
CID 114225707
N-ethyl-1-(thiadiazol-4-yl)but-3-en-1-amine
CID 105108314
1-(3,3-difluorocyclopentyl)-N-ethyl-5-methoxypentan-2-amine
CID 114224838
N-ethyl-1-(thiadiazol-4-yl)heptan-1-amine
CID 105126169
N-methyl-2-(oxan-4-yl)-1-(thiadiazol-4-yl)ethanamine
CID 105138589
N-ethyl-1-(thiadiazol-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 105121025
1-(3,3-difluorocyclopentyl)-N-ethyl-5,5-dimethylhexan-2-amine
CID 114224973
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine
CID 105157069
2-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 114224917
3-(2-chloro-3-methylbutyl)-1,1-difluorocyclopentane
CID 130487711

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine (CID 114225771) is 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine is CCNC(CC1CCC(F)(F)C1)c1csnn1.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine?
The InChIKey is MXLVVDPYUBJAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3S/c1-2-14-9(10-7-17-16-15-10)5-8-3-4-11(12,13)6-8/h7-9,14H,2-6H2,1H3.
What are the key properties of 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine?
2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine has a molecular weight of 261.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine is sourced from PubChem (CID 114225771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).