2-(3,3-difluorocyclopentyl)-1-(4-propylthiadiazol-5-yl)ethanone

C12H16F2N2OS — CID 114225634

IUPAC2-(3,3-difluorocyclopentyl)-1-(4-propylthiadiazol-5-yl)ethanone
SMILESCCCc1nnsc1C(=O)CC1CCC(F)(F)C1
InChIInChI=1S/C12H16F2N2OS/c1-2-3-9-11(18-16-15-9)10(17)6-8-4-5-12(13,14)7-8/h8H,2-7H2,1H3
InChIKeyNEPBLFFGBGILBZ-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.50
Rot. Bonds5

About 2-(3,3-difluorocyclopentyl)-1-(4-propylthiadiazol-5-yl)ethanone

2-(3,3-difluorocyclopentyl)-1-(4-propylthiadiazol-5-yl)ethanone (PubChem CID 114225634) has the molecular formula C12H16F2N2OS and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-1-(4-propylthiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-1-(4-propylthiadiazol-5-yl)ethanone
PubChem CID114225634
Molecular FormulaC12H16F2N2OS
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name2-(3,3-difluorocyclopentyl)-1-(4-propylthiadiazol-5-yl)ethanone
SMILESCCCc1nnsc1C(=O)CC1CCC(F)(F)C1
InChIInChI=1S/C12H16F2N2OS/c1-2-3-9-11(18-16-15-9)10(17)6-8-4-5-12(13,14)7-8/h8H,2-7H2,1H3
InChIKeyNEPBLFFGBGILBZ-UHFFFAOYSA-N
XLogP3.50
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-1-(4-propylthiadiazol-5-yl)ethanone?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-1-(4-propylthiadiazol-5-yl)ethanone (CID 114225634) is 2-(3,3-difluorocyclopentyl)-1-(4-propylthiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-1-(4-propylthiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-1-(4-propylthiadiazol-5-yl)ethanone is CCCc1nnsc1C(=O)CC1CCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-1-(4-propylthiadiazol-5-yl)ethanone?
The InChIKey is NEPBLFFGBGILBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2OS/c1-2-3-9-11(18-16-15-9)10(17)6-8-4-5-12(13,14)7-8/h8H,2-7H2,1H3.
What are the key properties of 2-(3,3-difluorocyclopentyl)-1-(4-propylthiadiazol-5-yl)ethanone?
2-(3,3-difluorocyclopentyl)-1-(4-propylthiadiazol-5-yl)ethanone has a molecular weight of 274.34 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-1-(4-propylthiadiazol-5-yl)ethanone is sourced from PubChem (CID 114225634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).