1-(2,3-dimethyl-1,3-thiazolidin-4-yl)ethanone;ethane

C9H19NOS — CID 145087578

IUPAC1-(2,3-dimethyl-1,3-thiazolidin-4-yl)ethanone;ethane
SMILESCC.CC(=O)C1CSC(C)N1C
InChIInChI=1S/C7H13NOS.C2H6/c1-5(9)7-4-10-6(2)8(7)3;1-2/h6-7H,4H2,1-3H3;1-2H3
InChIKeyPTOKMIMCVLTZCC-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.99
Rot. Bonds1

About 1-(2,3-dimethyl-1,3-thiazolidin-4-yl)ethanone;ethane

1-(2,3-dimethyl-1,3-thiazolidin-4-yl)ethanone;ethane (PubChem CID 145087578) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 1-(2,3-dimethyl-1,3-thiazolidin-4-yl)ethanone;ethane.

Molecular Properties

Compound Name1-(2,3-dimethyl-1,3-thiazolidin-4-yl)ethanone;ethane
PubChem CID145087578
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name1-(2,3-dimethyl-1,3-thiazolidin-4-yl)ethanone;ethane
SMILESCC.CC(=O)C1CSC(C)N1C
InChIInChI=1S/C7H13NOS.C2H6/c1-5(9)7-4-10-6(2)8(7)3;1-2/h6-7H,4H2,1-3H3;1-2H3
InChIKeyPTOKMIMCVLTZCC-UHFFFAOYSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methyl-2,3,4a,5,7,7a-hexahydrofuro[3,4-b][1,4]thiazin-3-yl)ethanone
CID 58849865
3-(difluoromethylsulfonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63781667
(2S,4S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 93478051
(2R,5S)-5-acetyl-1-methylpyrrolidine-2-carboxylic acid
CID 58812271
2-methyl-3-[2-(methylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63792869
3-(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791263
2-methyl-3-(5-methylfuran-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 114819012
2-methyl-3-(4-oxopentanethioyl)-1,3-thiazolidine-4-carboxylic acid
CID 54507182
1-[(2S)-1,4-dimethylpyrrolidin-2-yl]ethanone
CID 59902800
2-methyl-3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791089
1-(1-propan-2-ylaziridin-2-yl)ethanone
CID 160809757
1-[(2S,3R)-1,3-dimethylaziridin-2-yl]ethanone
CID 45085035

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-1,3-thiazolidin-4-yl)ethanone;ethane?
The IUPAC name of 1-(2,3-dimethyl-1,3-thiazolidin-4-yl)ethanone;ethane (CID 145087578) is 1-(2,3-dimethyl-1,3-thiazolidin-4-yl)ethanone;ethane.
What is the SMILES notation for 1-(2,3-dimethyl-1,3-thiazolidin-4-yl)ethanone;ethane?
The canonical SMILES for 1-(2,3-dimethyl-1,3-thiazolidin-4-yl)ethanone;ethane is CC.CC(=O)C1CSC(C)N1C.
What is the InChIKey of 1-(2,3-dimethyl-1,3-thiazolidin-4-yl)ethanone;ethane?
The InChIKey is PTOKMIMCVLTZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS.C2H6/c1-5(9)7-4-10-6(2)8(7)3;1-2/h6-7H,4H2,1-3H3;1-2H3.
What are the key properties of 1-(2,3-dimethyl-1,3-thiazolidin-4-yl)ethanone;ethane?
1-(2,3-dimethyl-1,3-thiazolidin-4-yl)ethanone;ethane has a molecular weight of 189.32 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyl-1,3-thiazolidin-4-yl)ethanone;ethane is sourced from PubChem (CID 145087578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).