ethane;4-methyl-1,2-thiazolidin-3-one

C6H13NOS — CID 54492728

IUPACethane;4-methyl-1,2-thiazolidin-3-one
SMILESCC.CC1CSNC1=O
InChIInChI=1S/C4H7NOS.C2H6/c1-3-2-7-5-4(3)6;1-2/h3H,2H2,1H3,(H,5,6);1-2H3
InChIKeyXWWUYUQATLTRGM-UHFFFAOYSA-N
MW147.24 g/mol
LogP1.43
Rot. Bonds

About ethane;4-methyl-1,2-thiazolidin-3-one

ethane;4-methyl-1,2-thiazolidin-3-one (PubChem CID 54492728) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is ethane;4-methyl-1,2-thiazolidin-3-one.

Molecular Properties

Compound Nameethane;4-methyl-1,2-thiazolidin-3-one
PubChem CID54492728
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Nameethane;4-methyl-1,2-thiazolidin-3-one
SMILESCC.CC1CSNC1=O
InChIInChI=1S/C4H7NOS.C2H6/c1-3-2-7-5-4(3)6;1-2/h3H,2H2,1H3,(H,5,6);1-2H3
InChIKeyXWWUYUQATLTRGM-UHFFFAOYSA-N
XLogP1.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-1,3-thiazinane-2,4-dione
CID 13448592
4-(chloromethyl)-1,2-thiazolidin-3-one
CID 70150343
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(3S,6S,9R,12S,15S)-3,6,9,12,15-pentamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102149559
4,7,10,13,16,19-hexamethyl-21-thia-3,6,9,12,15,18,23-heptazabicyclo[18.2.1]tricosane-2,5,8,11,14,17-hexone
CID 134573114
(3aS,6aR)-4-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one;ethane
CID 145181598
7,8-dichloro-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 105356148
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CID 99645794
ethane;6-methyl-4-azaspiro[2.4]heptan-5-one
CID 168941939
3,5,6,6-tetramethylpiperidin-2-one
CID 170011780
(3R,4S)-3-fluoro-3,4-dimethylpyrrolidin-2-one
CID 175917737
3,5,5,6,6-pentamethylpiperidin-2-one
CID 138971121

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1,2-thiazolidin-3-one?
The IUPAC name of ethane;4-methyl-1,2-thiazolidin-3-one (CID 54492728) is ethane;4-methyl-1,2-thiazolidin-3-one.
What is the SMILES notation for ethane;4-methyl-1,2-thiazolidin-3-one?
The canonical SMILES for ethane;4-methyl-1,2-thiazolidin-3-one is CC.CC1CSNC1=O.
What is the InChIKey of ethane;4-methyl-1,2-thiazolidin-3-one?
The InChIKey is XWWUYUQATLTRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NOS.C2H6/c1-3-2-7-5-4(3)6;1-2/h3H,2H2,1H3,(H,5,6);1-2H3.
What are the key properties of ethane;4-methyl-1,2-thiazolidin-3-one?
ethane;4-methyl-1,2-thiazolidin-3-one has a molecular weight of 147.24 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1,2-thiazolidin-3-one is sourced from PubChem (CID 54492728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).