2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone

C11H18N2OS2 — CID 57286193

IUPAC2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone
SMILESCC1=C(C)N(CC(=O)N2CCSCC2)CS1
InChIInChI=1S/C11H18N2OS2/c1-9-10(2)16-8-13(9)7-11(14)12-3-5-15-6-4-12/h3-8H2,1-2H3
InChIKeyZACXGXAIZCHLGS-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.82
Rot. Bonds2

About 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone

2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone (PubChem CID 57286193) has the molecular formula C11H18N2OS2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone
PubChem CID57286193
Molecular FormulaC11H18N2OS2
Molecular Weight258.41 g/mol
Exact Mass258.09
IUPAC Name2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone
SMILESCC1=C(C)N(CC(=O)N2CCSCC2)CS1
InChIInChI=1S/C11H18N2OS2/c1-9-10(2)16-8-13(9)7-11(14)12-3-5-15-6-4-12/h3-8H2,1-2H3
InChIKeyZACXGXAIZCHLGS-UHFFFAOYSA-N
XLogP1.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone?
The IUPAC name of 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone (CID 57286193) is 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone is CC1=C(C)N(CC(=O)N2CCSCC2)CS1.
What is the InChIKey of 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone?
The InChIKey is ZACXGXAIZCHLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS2/c1-9-10(2)16-8-13(9)7-11(14)12-3-5-15-6-4-12/h3-8H2,1-2H3.
What are the key properties of 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone?
2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone has a molecular weight of 258.41 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 57286193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).