1-morpholin-4-yl-2-(1,3-thiazol-5-ylsulfanyl)ethanone

C9H12N2O2S2 — CID 141119403

IUPAC1-morpholin-4-yl-2-(1,3-thiazol-5-ylsulfanyl)ethanone
SMILESO=C(CSc1cncs1)N1CCOCC1
InChIInChI=1S/C9H12N2O2S2/c12-8(11-1-3-13-4-2-11)6-14-9-5-10-7-15-9/h5,7H,1-4,6H2
InChIKeySBAVYKOMCLZPRQ-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.09
Rot. Bonds3

About 1-morpholin-4-yl-2-(1,3-thiazol-5-ylsulfanyl)ethanone

1-morpholin-4-yl-2-(1,3-thiazol-5-ylsulfanyl)ethanone (PubChem CID 141119403) has the molecular formula C9H12N2O2S2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(1,3-thiazol-5-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(1,3-thiazol-5-ylsulfanyl)ethanone
PubChem CID141119403
Molecular FormulaC9H12N2O2S2
Molecular Weight244.34 g/mol
Exact Mass244.03
IUPAC Name1-morpholin-4-yl-2-(1,3-thiazol-5-ylsulfanyl)ethanone
SMILESO=C(CSc1cncs1)N1CCOCC1
InChIInChI=1S/C9H12N2O2S2/c12-8(11-1-3-13-4-2-11)6-14-9-5-10-7-15-9/h5,7H,1-4,6H2
InChIKeySBAVYKOMCLZPRQ-UHFFFAOYSA-N
XLogP1.09
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-morpholin-4-yl-2-(1,3-thiazol-5-ylsulfanyl)ethanone 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-morpholin-4-yl-2-(1,3-thiazol-5-ylsulfanyl)ethanone?
The IUPAC name of 1-morpholin-4-yl-2-(1,3-thiazol-5-ylsulfanyl)ethanone (CID 141119403) is 1-morpholin-4-yl-2-(1,3-thiazol-5-ylsulfanyl)ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-(1,3-thiazol-5-ylsulfanyl)ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-(1,3-thiazol-5-ylsulfanyl)ethanone is O=C(CSc1cncs1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(1,3-thiazol-5-ylsulfanyl)ethanone?
The InChIKey is SBAVYKOMCLZPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S2/c12-8(11-1-3-13-4-2-11)6-14-9-5-10-7-15-9/h5,7H,1-4,6H2.
What are the key properties of 1-morpholin-4-yl-2-(1,3-thiazol-5-ylsulfanyl)ethanone?
1-morpholin-4-yl-2-(1,3-thiazol-5-ylsulfanyl)ethanone has a molecular weight of 244.34 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(1,3-thiazol-5-ylsulfanyl)ethanone is sourced from PubChem (CID 141119403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).