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

C7H10N2OS2 — CID 21486896

IUPAC2-methoxy-N-methyl-2-(1,3-thiazol-2-yl)ethanethioamide
SMILESCNC(=S)C(OC)c1nccs1
InChIInChI=1S/C7H10N2OS2/c1-8-6(11)5(10-2)7-9-3-4-12-7/h3-5H,1-2H3,(H,8,11)
InChIKeyRPHPXHHBEMOJNH-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.38
Rot. Bonds3

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

2-methoxy-N-methyl-2-(1,3-thiazol-2-yl)ethanethioamide (PubChem CID 21486896) has the molecular formula C7H10N2OS2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-methoxy-N-methyl-2-(1,3-thiazol-2-yl)ethanethioamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-2-(1,3-thiazol-2-yl)ethanethioamide
PubChem CID21486896
Molecular FormulaC7H10N2OS2
Molecular Weight202.30 g/mol
Exact Mass202.02
IUPAC Name2-methoxy-N-methyl-2-(1,3-thiazol-2-yl)ethanethioamide
SMILESCNC(=S)C(OC)c1nccs1
InChIInChI=1S/C7H10N2OS2/c1-8-6(11)5(10-2)7-9-3-4-12-7/h3-5H,1-2H3,(H,8,11)
InChIKeyRPHPXHHBEMOJNH-UHFFFAOYSA-N
XLogP1.38
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.38
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-N-methyl-2-(1,3-thiazol-2-yl)ethanethioamide?
The IUPAC name of 2-methoxy-N-methyl-2-(1,3-thiazol-2-yl)ethanethioamide (CID 21486896) is 2-methoxy-N-methyl-2-(1,3-thiazol-2-yl)ethanethioamide.
What is the SMILES notation for 2-methoxy-N-methyl-2-(1,3-thiazol-2-yl)ethanethioamide?
The canonical SMILES for 2-methoxy-N-methyl-2-(1,3-thiazol-2-yl)ethanethioamide is CNC(=S)C(OC)c1nccs1.
What is the InChIKey of 2-methoxy-N-methyl-2-(1,3-thiazol-2-yl)ethanethioamide?
The InChIKey is RPHPXHHBEMOJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS2/c1-8-6(11)5(10-2)7-9-3-4-12-7/h3-5H,1-2H3,(H,8,11).
What are the key properties of 2-methoxy-N-methyl-2-(1,3-thiazol-2-yl)ethanethioamide?
2-methoxy-N-methyl-2-(1,3-thiazol-2-yl)ethanethioamide has a molecular weight of 202.30 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-2-(1,3-thiazol-2-yl)ethanethioamide is sourced from PubChem (CID 21486896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).