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

C9H12N2OS2 — CID 141065533

IUPAC2-(1,3-thiazol-5-yl)-1-thiomorpholin-4-ylethanone
SMILESO=C(Cc1cncs1)N1CCSCC1
InChIInChI=1S/C9H12N2OS2/c12-9(5-8-6-10-7-14-8)11-1-3-13-4-2-11/h6-7H,1-5H2
InChIKeySOVKTRVZTZLVNO-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.26
Rot. Bonds2

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

2-(1,3-thiazol-5-yl)-1-thiomorpholin-4-ylethanone (PubChem CID 141065533) has the molecular formula C9H12N2OS2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(1,3-thiazol-5-yl)-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2-(1,3-thiazol-5-yl)-1-thiomorpholin-4-ylethanone
PubChem CID141065533
Molecular FormulaC9H12N2OS2
Molecular Weight228.34 g/mol
Exact Mass228.04
IUPAC Name2-(1,3-thiazol-5-yl)-1-thiomorpholin-4-ylethanone
SMILESO=C(Cc1cncs1)N1CCSCC1
InChIInChI=1S/C9H12N2OS2/c12-9(5-8-6-10-7-14-8)11-1-3-13-4-2-11/h6-7H,1-5H2
InChIKeySOVKTRVZTZLVNO-UHFFFAOYSA-N
XLogP1.26
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-5-yl)-1-thiomorpholin-4-ylethanone?
The IUPAC name of 2-(1,3-thiazol-5-yl)-1-thiomorpholin-4-ylethanone (CID 141065533) is 2-(1,3-thiazol-5-yl)-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2-(1,3-thiazol-5-yl)-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2-(1,3-thiazol-5-yl)-1-thiomorpholin-4-ylethanone is O=C(Cc1cncs1)N1CCSCC1.
What is the InChIKey of 2-(1,3-thiazol-5-yl)-1-thiomorpholin-4-ylethanone?
The InChIKey is SOVKTRVZTZLVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS2/c12-9(5-8-6-10-7-14-8)11-1-3-13-4-2-11/h6-7H,1-5H2.
What are the key properties of 2-(1,3-thiazol-5-yl)-1-thiomorpholin-4-ylethanone?
2-(1,3-thiazol-5-yl)-1-thiomorpholin-4-ylethanone has a molecular weight of 228.34 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-5-yl)-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 141065533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).