2-methoxy-2-(1,3-thiazol-2-yl)ethanethioamide

C6H8N2OS2 — CID 21486875

IUPAC2-methoxy-2-(1,3-thiazol-2-yl)ethanethioamide
SMILESCOC(C(N)=S)c1nccs1
InChIInChI=1S/C6H8N2OS2/c1-9-4(5(7)10)6-8-2-3-11-6/h2-4H,1H3,(H2,7,10)
InChIKeyYOPFPGYWGHHXHE-UHFFFAOYSA-N
MW188.28 g/mol
LogP1.12
Rot. Bonds3

About 2-methoxy-2-(1,3-thiazol-2-yl)ethanethioamide

2-methoxy-2-(1,3-thiazol-2-yl)ethanethioamide (PubChem CID 21486875) has the molecular formula C6H8N2OS2 and a molecular weight of 188.28 g/mol. Its IUPAC name is 2-methoxy-2-(1,3-thiazol-2-yl)ethanethioamide.

Molecular Properties

Compound Name2-methoxy-2-(1,3-thiazol-2-yl)ethanethioamide
PubChem CID21486875
Molecular FormulaC6H8N2OS2
Molecular Weight188.28 g/mol
Exact Mass188.01
IUPAC Name2-methoxy-2-(1,3-thiazol-2-yl)ethanethioamide
SMILESCOC(C(N)=S)c1nccs1
InChIInChI=1S/C6H8N2OS2/c1-9-4(5(7)10)6-8-2-3-11-6/h2-4H,1H3,(H2,7,10)
InChIKeyYOPFPGYWGHHXHE-UHFFFAOYSA-N
XLogP1.12
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(1,3-thiazol-2-yl)ethanethioamide?
The IUPAC name of 2-methoxy-2-(1,3-thiazol-2-yl)ethanethioamide (CID 21486875) is 2-methoxy-2-(1,3-thiazol-2-yl)ethanethioamide.
What is the SMILES notation for 2-methoxy-2-(1,3-thiazol-2-yl)ethanethioamide?
The canonical SMILES for 2-methoxy-2-(1,3-thiazol-2-yl)ethanethioamide is COC(C(N)=S)c1nccs1.
What is the InChIKey of 2-methoxy-2-(1,3-thiazol-2-yl)ethanethioamide?
The InChIKey is YOPFPGYWGHHXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS2/c1-9-4(5(7)10)6-8-2-3-11-6/h2-4H,1H3,(H2,7,10).
What are the key properties of 2-methoxy-2-(1,3-thiazol-2-yl)ethanethioamide?
2-methoxy-2-(1,3-thiazol-2-yl)ethanethioamide has a molecular weight of 188.28 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(1,3-thiazol-2-yl)ethanethioamide is sourced from PubChem (CID 21486875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).