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

C9H15BrN2OS2 — CID 173113484

IUPAC2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone;hydrobromide
SMILESBr.O=C(CN1C=CSC1)N1CCSCC1
InChIInChI=1S/C9H14N2OS2.BrH/c12-9(7-10-1-4-14-8-10)11-2-5-13-6-3-11;/h1,4H,2-3,5-8H2;1H
InChIKeyVDITVBVAMCRYAW-UHFFFAOYSA-N
MW311.27 g/mol
LogP1.62
Rot. Bonds2

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

2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone;hydrobromide (PubChem CID 173113484) has the molecular formula C9H15BrN2OS2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone;hydrobromide.

Molecular Properties

Compound Name2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone;hydrobromide
PubChem CID173113484
Molecular FormulaC9H15BrN2OS2
Molecular Weight311.27 g/mol
Exact Mass309.98
IUPAC Name2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone;hydrobromide
SMILESBr.O=C(CN1C=CSC1)N1CCSCC1
InChIInChI=1S/C9H14N2OS2.BrH/c12-9(7-10-1-4-14-8-10)11-2-5-13-6-3-11;/h1,4H,2-3,5-8H2;1H
InChIKeyVDITVBVAMCRYAW-UHFFFAOYSA-N
XLogP1.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone;hydrobromide?
The IUPAC name of 2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone;hydrobromide (CID 173113484) is 2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone;hydrobromide.
What is the SMILES notation for 2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone;hydrobromide?
The canonical SMILES for 2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone;hydrobromide is Br.O=C(CN1C=CSC1)N1CCSCC1.
What is the InChIKey of 2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone;hydrobromide?
The InChIKey is VDITVBVAMCRYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS2.BrH/c12-9(7-10-1-4-14-8-10)11-2-5-13-6-3-11;/h1,4H,2-3,5-8H2;1H.
What are the key properties of 2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone;hydrobromide?
2-(2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone;hydrobromide has a molecular weight of 311.27 g/mol, XLogP of 1.62, 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;hydrobromide is sourced from PubChem (CID 173113484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).