2-(3,3-difluorocyclopentyl)-1-(4-ethylthiadiazol-5-yl)ethanamine

C11H17F2N3S — CID 114225795

IUPAC2-(3,3-difluorocyclopentyl)-1-(4-ethylthiadiazol-5-yl)ethanamine
SMILESCCc1nnsc1C(N)CC1CCC(F)(F)C1
InChIInChI=1S/C11H17F2N3S/c1-2-9-10(17-16-15-9)8(14)5-7-3-4-11(12,13)6-7/h7-8H,2-6,14H2,1H3
InChIKeyYUZNOBZSGDZCCY-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.93
Rot. Bonds4

About 2-(3,3-difluorocyclopentyl)-1-(4-ethylthiadiazol-5-yl)ethanamine

2-(3,3-difluorocyclopentyl)-1-(4-ethylthiadiazol-5-yl)ethanamine (PubChem CID 114225795) has the molecular formula C11H17F2N3S and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-1-(4-ethylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-1-(4-ethylthiadiazol-5-yl)ethanamine
PubChem CID114225795
Molecular FormulaC11H17F2N3S
Molecular Weight261.34 g/mol
Exact Mass261.11
IUPAC Name2-(3,3-difluorocyclopentyl)-1-(4-ethylthiadiazol-5-yl)ethanamine
SMILESCCc1nnsc1C(N)CC1CCC(F)(F)C1
InChIInChI=1S/C11H17F2N3S/c1-2-9-10(17-16-15-9)8(14)5-7-3-4-11(12,13)6-7/h7-8H,2-6,14H2,1H3
InChIKeyYUZNOBZSGDZCCY-UHFFFAOYSA-N
XLogP2.93
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-1-(4-ethylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-1-(4-ethylthiadiazol-5-yl)ethanamine (CID 114225795) is 2-(3,3-difluorocyclopentyl)-1-(4-ethylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-1-(4-ethylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-1-(4-ethylthiadiazol-5-yl)ethanamine is CCc1nnsc1C(N)CC1CCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-1-(4-ethylthiadiazol-5-yl)ethanamine?
The InChIKey is YUZNOBZSGDZCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3S/c1-2-9-10(17-16-15-9)8(14)5-7-3-4-11(12,13)6-7/h7-8H,2-6,14H2,1H3.
What are the key properties of 2-(3,3-difluorocyclopentyl)-1-(4-ethylthiadiazol-5-yl)ethanamine?
2-(3,3-difluorocyclopentyl)-1-(4-ethylthiadiazol-5-yl)ethanamine has a molecular weight of 261.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-1-(4-ethylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 114225795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).