(4-methylthiadiazol-5-yl)-morpholin-4-ylmethanone

C8H11N3O2S — CID 7576678

IUPAC(4-methylthiadiazol-5-yl)-morpholin-4-ylmethanone
SMILESCc1nnsc1C(=O)N1CCOCC1
InChIInChI=1S/C8H11N3O2S/c1-6-7(14-10-9-6)8(12)11-2-4-13-5-3-11/h2-5H2,1H3
InChIKeyVNBQXWHCJHHLLO-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.32
Rot. Bonds1

About (4-methylthiadiazol-5-yl)-morpholin-4-ylmethanone

(4-methylthiadiazol-5-yl)-morpholin-4-ylmethanone (PubChem CID 7576678) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-morpholin-4-ylmethanone
PubChem CID7576678
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name(4-methylthiadiazol-5-yl)-morpholin-4-ylmethanone
SMILESCc1nnsc1C(=O)N1CCOCC1
InChIInChI=1S/C8H11N3O2S/c1-6-7(14-10-9-6)8(12)11-2-4-13-5-3-11/h2-5H2,1H3
InChIKeyVNBQXWHCJHHLLO-UHFFFAOYSA-N
XLogP0.32
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methylthiadiazol-5-yl)-morpholin-4-ylmethanone 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 (4-methylthiadiazol-5-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-methylthiadiazol-5-yl)-morpholin-4-ylmethanone (CID 7576678) is (4-methylthiadiazol-5-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-methylthiadiazol-5-yl)-morpholin-4-ylmethanone is Cc1nnsc1C(=O)N1CCOCC1.
What is the InChIKey of (4-methylthiadiazol-5-yl)-morpholin-4-ylmethanone?
The InChIKey is VNBQXWHCJHHLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-6-7(14-10-9-6)8(12)11-2-4-13-5-3-11/h2-5H2,1H3.
What are the key properties of (4-methylthiadiazol-5-yl)-morpholin-4-ylmethanone?
(4-methylthiadiazol-5-yl)-morpholin-4-ylmethanone has a molecular weight of 213.26 g/mol, XLogP of 0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 7576678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).