morpholin-4-yl-(4-thiophen-2-ylthiadiazol-5-yl)methanone

C11H11N3O2S2 — CID 100752350

IUPACmorpholin-4-yl-(4-thiophen-2-ylthiadiazol-5-yl)methanone
SMILESO=C(c1snnc1-c1cccs1)N1CCOCC1
InChIInChI=1S/C11H11N3O2S2/c15-11(14-3-5-16-6-4-14)10-9(12-13-18-10)8-2-1-7-17-8/h1-2,7H,3-6H2
InChIKeyQIBBRWPOAGSGLW-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.74
Rot. Bonds2

About morpholin-4-yl-(4-thiophen-2-ylthiadiazol-5-yl)methanone

morpholin-4-yl-(4-thiophen-2-ylthiadiazol-5-yl)methanone (PubChem CID 100752350) has the molecular formula C11H11N3O2S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is morpholin-4-yl-(4-thiophen-2-ylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(4-thiophen-2-ylthiadiazol-5-yl)methanone
PubChem CID100752350
Molecular FormulaC11H11N3O2S2
Molecular Weight281.36 g/mol
Exact Mass281.03
IUPAC Namemorpholin-4-yl-(4-thiophen-2-ylthiadiazol-5-yl)methanone
SMILESO=C(c1snnc1-c1cccs1)N1CCOCC1
InChIInChI=1S/C11H11N3O2S2/c15-11(14-3-5-16-6-4-14)10-9(12-13-18-10)8-2-1-7-17-8/h1-2,7H,3-6H2
InChIKeyQIBBRWPOAGSGLW-UHFFFAOYSA-N
XLogP1.74
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(4-thiophen-2-ylthiadiazol-5-yl)methanone?
The IUPAC name of morpholin-4-yl-(4-thiophen-2-ylthiadiazol-5-yl)methanone (CID 100752350) is morpholin-4-yl-(4-thiophen-2-ylthiadiazol-5-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(4-thiophen-2-ylthiadiazol-5-yl)methanone?
The canonical SMILES for morpholin-4-yl-(4-thiophen-2-ylthiadiazol-5-yl)methanone is O=C(c1snnc1-c1cccs1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-(4-thiophen-2-ylthiadiazol-5-yl)methanone?
The InChIKey is QIBBRWPOAGSGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S2/c15-11(14-3-5-16-6-4-14)10-9(12-13-18-10)8-2-1-7-17-8/h1-2,7H,3-6H2.
What are the key properties of morpholin-4-yl-(4-thiophen-2-ylthiadiazol-5-yl)methanone?
morpholin-4-yl-(4-thiophen-2-ylthiadiazol-5-yl)methanone has a molecular weight of 281.36 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(4-thiophen-2-ylthiadiazol-5-yl)methanone is sourced from PubChem (CID 100752350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).