morpholin-4-yl-(4-phenylthiadiazol-5-yl)methanone

C13H13N3O2S — CID 2767921

IUPACmorpholin-4-yl-(4-phenylthiadiazol-5-yl)methanone
SMILESO=C(c1snnc1-c1ccccc1)N1CCOCC1
InChIInChI=1S/C13H13N3O2S/c17-13(16-6-8-18-9-7-16)12-11(14-15-19-12)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyKAQXCRBWTLGJQR-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.68
Rot. Bonds2

About morpholin-4-yl-(4-phenylthiadiazol-5-yl)methanone

morpholin-4-yl-(4-phenylthiadiazol-5-yl)methanone (PubChem CID 2767921) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is morpholin-4-yl-(4-phenylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(4-phenylthiadiazol-5-yl)methanone
PubChem CID2767921
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Namemorpholin-4-yl-(4-phenylthiadiazol-5-yl)methanone
SMILESO=C(c1snnc1-c1ccccc1)N1CCOCC1
InChIInChI=1S/C13H13N3O2S/c17-13(16-6-8-18-9-7-16)12-11(14-15-19-12)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyKAQXCRBWTLGJQR-UHFFFAOYSA-N
XLogP1.68
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze morpholin-4-yl-(4-phenylthiadiazol-5-yl)methanone 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 morpholin-4-yl-(4-phenylthiadiazol-5-yl)methanone?
The IUPAC name of morpholin-4-yl-(4-phenylthiadiazol-5-yl)methanone (CID 2767921) is morpholin-4-yl-(4-phenylthiadiazol-5-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(4-phenylthiadiazol-5-yl)methanone?
The canonical SMILES for morpholin-4-yl-(4-phenylthiadiazol-5-yl)methanone is O=C(c1snnc1-c1ccccc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-(4-phenylthiadiazol-5-yl)methanone?
The InChIKey is KAQXCRBWTLGJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c17-13(16-6-8-18-9-7-16)12-11(14-15-19-12)10-4-2-1-3-5-10/h1-5H,6-9H2.
What are the key properties of morpholin-4-yl-(4-phenylthiadiazol-5-yl)methanone?
morpholin-4-yl-(4-phenylthiadiazol-5-yl)methanone has a molecular weight of 275.33 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(4-phenylthiadiazol-5-yl)methanone is sourced from PubChem (CID 2767921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).