2,3-dimethyl-2H-1,3-thiazole 1,1-dioxide

C5H9NO2S — CID 123612562

IUPAC2,3-dimethyl-2H-1,3-thiazole 1,1-dioxide
SMILESCC1N(C)C=CS1(=O)=O
InChIInChI=1S/C5H9NO2S/c1-5-6(2)3-4-9(5,7)8/h3-5H,1-2H3
InChIKeyUJGQSJIVAZNJEA-UHFFFAOYSA-N
MW147.20 g/mol
LogP0.16
Rot. Bonds

About 2,3-dimethyl-2H-1,3-thiazole 1,1-dioxide

2,3-dimethyl-2H-1,3-thiazole 1,1-dioxide (PubChem CID 123612562) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is 2,3-dimethyl-2H-1,3-thiazole 1,1-dioxide.

Molecular Properties

Compound Name2,3-dimethyl-2H-1,3-thiazole 1,1-dioxide
PubChem CID123612562
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name2,3-dimethyl-2H-1,3-thiazole 1,1-dioxide
SMILESCC1N(C)C=CS1(=O)=O
InChIInChI=1S/C5H9NO2S/c1-5-6(2)3-4-9(5,7)8/h3-5H,1-2H3
InChIKeyUJGQSJIVAZNJEA-UHFFFAOYSA-N
XLogP0.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N,N-dimethyl-2-methylsulfonylethenamine
CID 12950462
4-Methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide
CID 20813961
3-Methyl-2-methylidene-1,3-thiazolidine 1,1-dioxide
CID 59171546
2-methyl-3-methylsulfonyl-2H-1,3-thiazole
CID 67482221
3-Methyl-2-methylidene-1,3-thiazole 1,1-dioxide
CID 67978394
3-ethyl-2H-1,3-thiazole 1-oxide
CID 69753394
3-ethyl-2H-1,3-thiazole-2-sulfonic acid
CID 88472228
3-(methylsulfonylmethyl)-2H-1,3-thiazole
CID 91296428
Ethane;3-methyl-2-methylidene-1,3-thiazole 1-oxide
CID 144152536
Methane;4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide
CID 159364196
3-[(E)-prop-1-enyl]-1,3-thiazolidine 1,1-dioxide
CID 169992515

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2H-1,3-thiazole 1,1-dioxide?
The IUPAC name of 2,3-dimethyl-2H-1,3-thiazole 1,1-dioxide (CID 123612562) is 2,3-dimethyl-2H-1,3-thiazole 1,1-dioxide.
What is the SMILES notation for 2,3-dimethyl-2H-1,3-thiazole 1,1-dioxide?
The canonical SMILES for 2,3-dimethyl-2H-1,3-thiazole 1,1-dioxide is CC1N(C)C=CS1(=O)=O.
What is the InChIKey of 2,3-dimethyl-2H-1,3-thiazole 1,1-dioxide?
The InChIKey is UJGQSJIVAZNJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-5-6(2)3-4-9(5,7)8/h3-5H,1-2H3.
What are the key properties of 2,3-dimethyl-2H-1,3-thiazole 1,1-dioxide?
2,3-dimethyl-2H-1,3-thiazole 1,1-dioxide has a molecular weight of 147.20 g/mol, XLogP of 0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2H-1,3-thiazole 1,1-dioxide is sourced from PubChem (CID 123612562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).