1-(4-cyclopropylthiadiazol-5-yl)ethanone

C7H8N2OS — CID 59432060

IUPAC1-(4-cyclopropylthiadiazol-5-yl)ethanone
SMILESCC(=O)c1snnc1C1CC1
InChIInChI=1S/C7H8N2OS/c1-4(10)7-6(5-2-3-5)8-9-11-7/h5H,2-3H2,1H3
InChIKeyODWAEPCZHFUILH-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.62
Rot. Bonds2

About 1-(4-cyclopropylthiadiazol-5-yl)ethanone

1-(4-cyclopropylthiadiazol-5-yl)ethanone (PubChem CID 59432060) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 1-(4-cyclopropylthiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-cyclopropylthiadiazol-5-yl)ethanone
PubChem CID59432060
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name1-(4-cyclopropylthiadiazol-5-yl)ethanone
SMILESCC(=O)c1snnc1C1CC1
InChIInChI=1S/C7H8N2OS/c1-4(10)7-6(5-2-3-5)8-9-11-7/h5H,2-3H2,1H3
InChIKeyODWAEPCZHFUILH-UHFFFAOYSA-N
XLogP1.62
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylthiadiazol-5-yl)ethanone?
The IUPAC name of 1-(4-cyclopropylthiadiazol-5-yl)ethanone (CID 59432060) is 1-(4-cyclopropylthiadiazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-cyclopropylthiadiazol-5-yl)ethanone?
The canonical SMILES for 1-(4-cyclopropylthiadiazol-5-yl)ethanone is CC(=O)c1snnc1C1CC1.
What is the InChIKey of 1-(4-cyclopropylthiadiazol-5-yl)ethanone?
The InChIKey is ODWAEPCZHFUILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-4(10)7-6(5-2-3-5)8-9-11-7/h5H,2-3H2,1H3.
What are the key properties of 1-(4-cyclopropylthiadiazol-5-yl)ethanone?
1-(4-cyclopropylthiadiazol-5-yl)ethanone has a molecular weight of 168.22 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylthiadiazol-5-yl)ethanone is sourced from PubChem (CID 59432060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).