3-methyl-2-methylidene-1,3-thiazole 1-oxide

C5H7NOS — CID 67978390

IUPAC3-methyl-2-methylidene-1,3-thiazole 1-oxide
SMILESC=C1N(C)C=CS1=O
InChIInChI=1S/C5H7NOS/c1-5-6(2)3-4-8(5)7/h3-4H,1H2,2H3
InChIKeyXZIRUGBOGANKOV-UHFFFAOYSA-N
MW129.18 g/mol
LogP0.62
Rot. Bonds

About 3-methyl-2-methylidene-1,3-thiazole 1-oxide

3-methyl-2-methylidene-1,3-thiazole 1-oxide (PubChem CID 67978390) has the molecular formula C5H7NOS and a molecular weight of 129.18 g/mol. Its IUPAC name is 3-methyl-2-methylidene-1,3-thiazole 1-oxide.

Molecular Properties

Compound Name3-methyl-2-methylidene-1,3-thiazole 1-oxide
PubChem CID67978390
Molecular FormulaC5H7NOS
Molecular Weight129.18 g/mol
Exact Mass129.02
IUPAC Name3-methyl-2-methylidene-1,3-thiazole 1-oxide
SMILESC=C1N(C)C=CS1=O
InChIInChI=1S/C5H7NOS/c1-5-6(2)3-4-8(5)7/h3-4H,1H2,2H3
InChIKeyXZIRUGBOGANKOV-UHFFFAOYSA-N
XLogP0.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylidene-1,3-thiazole 1-oxide?
The IUPAC name of 3-methyl-2-methylidene-1,3-thiazole 1-oxide (CID 67978390) is 3-methyl-2-methylidene-1,3-thiazole 1-oxide.
What is the SMILES notation for 3-methyl-2-methylidene-1,3-thiazole 1-oxide?
The canonical SMILES for 3-methyl-2-methylidene-1,3-thiazole 1-oxide is C=C1N(C)C=CS1=O.
What is the InChIKey of 3-methyl-2-methylidene-1,3-thiazole 1-oxide?
The InChIKey is XZIRUGBOGANKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NOS/c1-5-6(2)3-4-8(5)7/h3-4H,1H2,2H3.
What are the key properties of 3-methyl-2-methylidene-1,3-thiazole 1-oxide?
3-methyl-2-methylidene-1,3-thiazole 1-oxide has a molecular weight of 129.18 g/mol, XLogP of 0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylidene-1,3-thiazole 1-oxide is sourced from PubChem (CID 67978390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).