1-cyclopropyl-2-(3-propyl-1,2,4-thiadiazol-5-yl)ethanone

C10H14N2OS — CID 65280839

IUPAC1-cyclopropyl-2-(3-propyl-1,2,4-thiadiazol-5-yl)ethanone
SMILESCCCc1nsc(CC(=O)C2CC2)n1
InChIInChI=1S/C10H14N2OS/c1-2-3-9-11-10(14-12-9)6-8(13)7-4-5-7/h7H,2-6H2,1H3
InChIKeyALBVNIRNBFTKLZ-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.01
Rot. Bonds5

About 1-cyclopropyl-2-(3-propyl-1,2,4-thiadiazol-5-yl)ethanone

1-cyclopropyl-2-(3-propyl-1,2,4-thiadiazol-5-yl)ethanone (PubChem CID 65280839) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3-propyl-1,2,4-thiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(3-propyl-1,2,4-thiadiazol-5-yl)ethanone
PubChem CID65280839
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name1-cyclopropyl-2-(3-propyl-1,2,4-thiadiazol-5-yl)ethanone
SMILESCCCc1nsc(CC(=O)C2CC2)n1
InChIInChI=1S/C10H14N2OS/c1-2-3-9-11-10(14-12-9)6-8(13)7-4-5-7/h7H,2-6H2,1H3
InChIKeyALBVNIRNBFTKLZ-UHFFFAOYSA-N
XLogP2.01
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3-propyl-1,2,4-thiadiazol-5-yl)ethanone?
The IUPAC name of 1-cyclopropyl-2-(3-propyl-1,2,4-thiadiazol-5-yl)ethanone (CID 65280839) is 1-cyclopropyl-2-(3-propyl-1,2,4-thiadiazol-5-yl)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(3-propyl-1,2,4-thiadiazol-5-yl)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(3-propyl-1,2,4-thiadiazol-5-yl)ethanone is CCCc1nsc(CC(=O)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-2-(3-propyl-1,2,4-thiadiazol-5-yl)ethanone?
The InChIKey is ALBVNIRNBFTKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-2-3-9-11-10(14-12-9)6-8(13)7-4-5-7/h7H,2-6H2,1H3.
What are the key properties of 1-cyclopropyl-2-(3-propyl-1,2,4-thiadiazol-5-yl)ethanone?
1-cyclopropyl-2-(3-propyl-1,2,4-thiadiazol-5-yl)ethanone has a molecular weight of 210.30 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3-propyl-1,2,4-thiadiazol-5-yl)ethanone is sourced from PubChem (CID 65280839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).