2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone

C9H14N2OS2 — CID 56994914

IUPAC2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone
SMILESO=C(CN1C=CSC1)N1CCSCC1
InChIInChI=1S/C9H14N2OS2/c12-9(7-10-1-4-14-8-10)11-2-5-13-6-3-11/h1,4H,2-3,5-8H2
InChIKeyCHQOWYFRBXQIAP-UHFFFAOYSA-N
MW230.36 g/mol
LogP1.04
Rot. Bonds2

About 2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone

2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone (PubChem CID 56994914) has the molecular formula C9H14N2OS2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone
PubChem CID56994914
Molecular FormulaC9H14N2OS2
Molecular Weight230.36 g/mol
Exact Mass230.05
IUPAC Name2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone
SMILESO=C(CN1C=CSC1)N1CCSCC1
InChIInChI=1S/C9H14N2OS2/c12-9(7-10-1-4-14-8-10)11-2-5-13-6-3-11/h1,4H,2-3,5-8H2
InChIKeyCHQOWYFRBXQIAP-UHFFFAOYSA-N
XLogP1.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-methyl-2H-imidazol-1-yl)-1-thiomorpholin-4-ylethanone
CID 21079168
(3-methyl-2H-1,3-thiazol-2-yl)-piperazin-1-ylmethanone
CID 146957017
2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone;hydrobromide
CID 173113484
3-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one
CID 115886879

Frequently Asked Questions

What is the IUPAC name of 2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone?
The IUPAC name of 2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone (CID 56994914) is 2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone is O=C(CN1C=CSC1)N1CCSCC1.
What is the InChIKey of 2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone?
The InChIKey is CHQOWYFRBXQIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS2/c12-9(7-10-1-4-14-8-10)11-2-5-13-6-3-11/h1,4H,2-3,5-8H2.
What are the key properties of 2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone?
2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone has a molecular weight of 230.36 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 56994914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).