2-(1,2-thiazol-5-yl)-1-thiomorpholin-2-ylethanol

C9H14N2OS2 — CID 164653677

IUPAC2-(1,2-thiazol-5-yl)-1-thiomorpholin-2-ylethanol
SMILESOC(Cc1ccns1)C1CNCCS1
InChIInChI=1S/C9H14N2OS2/c12-8(5-7-1-2-11-14-7)9-6-10-3-4-13-9/h1-2,8-10,12H,3-6H2
InChIKeyXLLHFQUYVGAPSZ-UHFFFAOYSA-N
MW230.36 g/mol
LogP0.75
Rot. Bonds3

About 2-(1,2-thiazol-5-yl)-1-thiomorpholin-2-ylethanol

2-(1,2-thiazol-5-yl)-1-thiomorpholin-2-ylethanol (PubChem CID 164653677) has the molecular formula C9H14N2OS2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-(1,2-thiazol-5-yl)-1-thiomorpholin-2-ylethanol.

Molecular Properties

Compound Name2-(1,2-thiazol-5-yl)-1-thiomorpholin-2-ylethanol
PubChem CID164653677
Molecular FormulaC9H14N2OS2
Molecular Weight230.36 g/mol
Exact Mass230.05
IUPAC Name2-(1,2-thiazol-5-yl)-1-thiomorpholin-2-ylethanol
SMILESOC(Cc1ccns1)C1CNCCS1
InChIInChI=1S/C9H14N2OS2/c12-8(5-7-1-2-11-14-7)9-6-10-3-4-13-9/h1-2,8-10,12H,3-6H2
InChIKeyXLLHFQUYVGAPSZ-UHFFFAOYSA-N
XLogP0.75
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-thiazol-5-yl)-1-thiomorpholin-2-ylethanol?
The IUPAC name of 2-(1,2-thiazol-5-yl)-1-thiomorpholin-2-ylethanol (CID 164653677) is 2-(1,2-thiazol-5-yl)-1-thiomorpholin-2-ylethanol.
What is the SMILES notation for 2-(1,2-thiazol-5-yl)-1-thiomorpholin-2-ylethanol?
The canonical SMILES for 2-(1,2-thiazol-5-yl)-1-thiomorpholin-2-ylethanol is OC(Cc1ccns1)C1CNCCS1.
What is the InChIKey of 2-(1,2-thiazol-5-yl)-1-thiomorpholin-2-ylethanol?
The InChIKey is XLLHFQUYVGAPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS2/c12-8(5-7-1-2-11-14-7)9-6-10-3-4-13-9/h1-2,8-10,12H,3-6H2.
What are the key properties of 2-(1,2-thiazol-5-yl)-1-thiomorpholin-2-ylethanol?
2-(1,2-thiazol-5-yl)-1-thiomorpholin-2-ylethanol has a molecular weight of 230.36 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-thiazol-5-yl)-1-thiomorpholin-2-ylethanol is sourced from PubChem (CID 164653677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).