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

C5H7NO2S — CID 67978394

IUPAC3-methyl-2-methylidene-1,3-thiazole 1,1-dioxide
SMILESC=C1N(C)C=CS1(=O)=O
InChIInChI=1S/C5H7NO2S/c1-5-6(2)3-4-9(5,7)8/h3-4H,1H2,2H3
InChIKeyWXOOKYLEXPIYKX-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.29
Rot. Bonds

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

3-methyl-2-methylidene-1,3-thiazole 1,1-dioxide (PubChem CID 67978394) has the molecular formula C5H7NO2S and a molecular weight of 145.18 g/mol. Its IUPAC name is 3-methyl-2-methylidene-1,3-thiazole 1,1-dioxide.

Molecular Properties

Compound Name3-methyl-2-methylidene-1,3-thiazole 1,1-dioxide
PubChem CID67978394
Molecular FormulaC5H7NO2S
Molecular Weight145.18 g/mol
Exact Mass145.02
IUPAC Name3-methyl-2-methylidene-1,3-thiazole 1,1-dioxide
SMILESC=C1N(C)C=CS1(=O)=O
InChIInChI=1S/C5H7NO2S/c1-5-6(2)3-4-9(5,7)8/h3-4H,1H2,2H3
InChIKeyWXOOKYLEXPIYKX-UHFFFAOYSA-N
XLogP0.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N,N-dimethyl-2-methylsulfonylethenamine
CID 12950462
3-methyl-2H-1,3-thiazole 1-oxide
CID 67443768
2-methyl-3-methylsulfonyl-2H-1,3-thiazole
CID 67482221
3-Methyl-2-methylidene-1,3-thiazole 1-oxide
CID 67978390
3-ethyl-2H-1,3-thiazole 1-oxide
CID 69753394
3-ethenyl-2H-1,3-thiazole 1-oxide
CID 69753554
3-methylsulfonyl-2H-1,3-thiazole-2-thiol
CID 87416744
3-ethyl-2H-1,3-thiazole-2-sulfonic acid
CID 88472228
3-(methylsulfonylmethyl)-2H-1,3-thiazole
CID 91296428
2,3-dimethyl-2H-1,3-thiazole 1,1-dioxide
CID 123612562
3-methylsulfonyl-2H-1,3-thiazole
CID 137442387
Ethane;3-methyl-2-methylidene-1,3-thiazole 1-oxide
CID 144152536

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylidene-1,3-thiazole 1,1-dioxide?
The IUPAC name of 3-methyl-2-methylidene-1,3-thiazole 1,1-dioxide (CID 67978394) is 3-methyl-2-methylidene-1,3-thiazole 1,1-dioxide.
What is the SMILES notation for 3-methyl-2-methylidene-1,3-thiazole 1,1-dioxide?
The canonical SMILES for 3-methyl-2-methylidene-1,3-thiazole 1,1-dioxide is C=C1N(C)C=CS1(=O)=O.
What is the InChIKey of 3-methyl-2-methylidene-1,3-thiazole 1,1-dioxide?
The InChIKey is WXOOKYLEXPIYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S/c1-5-6(2)3-4-9(5,7)8/h3-4H,1H2,2H3.
What are the key properties of 3-methyl-2-methylidene-1,3-thiazole 1,1-dioxide?
3-methyl-2-methylidene-1,3-thiazole 1,1-dioxide has a molecular weight of 145.18 g/mol, XLogP of 0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylidene-1,3-thiazole 1,1-dioxide is sourced from PubChem (CID 67978394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).