1-(thiadiazol-5-yl)pentan-1-one

C7H10N2OS — CID 105086622

IUPAC1-(thiadiazol-5-yl)pentan-1-one
SMILESCCCCC(=O)c1cnns1
InChIInChI=1S/C7H10N2OS/c1-2-3-4-6(10)7-5-8-9-11-7/h5H,2-4H2,1H3
InChIKeySNVPTLQCVUFALL-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.91
Rot. Bonds4

About 1-(thiadiazol-5-yl)pentan-1-one

1-(thiadiazol-5-yl)pentan-1-one (PubChem CID 105086622) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 1-(thiadiazol-5-yl)pentan-1-one.

Molecular Properties

Compound Name1-(thiadiazol-5-yl)pentan-1-one
PubChem CID105086622
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name1-(thiadiazol-5-yl)pentan-1-one
SMILESCCCCC(=O)c1cnns1
InChIInChI=1S/C7H10N2OS/c1-2-3-4-6(10)7-5-8-9-11-7/h5H,2-4H2,1H3
InChIKeySNVPTLQCVUFALL-UHFFFAOYSA-N
XLogP1.91
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(thiadiazol-5-yl)pentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(thiadiazol-5-yl)pentan-1-one?
The IUPAC name of 1-(thiadiazol-5-yl)pentan-1-one (CID 105086622) is 1-(thiadiazol-5-yl)pentan-1-one.
What is the SMILES notation for 1-(thiadiazol-5-yl)pentan-1-one?
The canonical SMILES for 1-(thiadiazol-5-yl)pentan-1-one is CCCCC(=O)c1cnns1.
What is the InChIKey of 1-(thiadiazol-5-yl)pentan-1-one?
The InChIKey is SNVPTLQCVUFALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-2-3-4-6(10)7-5-8-9-11-7/h5H,2-4H2,1H3.
What are the key properties of 1-(thiadiazol-5-yl)pentan-1-one?
1-(thiadiazol-5-yl)pentan-1-one has a molecular weight of 170.24 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiadiazol-5-yl)pentan-1-one is sourced from PubChem (CID 105086622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).