3-(2-methylsulfanylethyl)-1,3-thiazol-2-one

C6H9NOS2 — CID 115749773

IUPAC3-(2-methylsulfanylethyl)-1,3-thiazol-2-one
SMILESCSCCn1ccsc1=O
InChIInChI=1S/C6H9NOS2/c1-9-4-2-7-3-5-10-6(7)8/h3,5H,2,4H2,1H3
InChIKeyJUZLQURLEPGPHF-UHFFFAOYSA-N
MW175.28 g/mol
LogP1.27
Rot. Bonds3

About 3-(2-methylsulfanylethyl)-1,3-thiazol-2-one

3-(2-methylsulfanylethyl)-1,3-thiazol-2-one (PubChem CID 115749773) has the molecular formula C6H9NOS2 and a molecular weight of 175.28 g/mol. Its IUPAC name is 3-(2-methylsulfanylethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-methylsulfanylethyl)-1,3-thiazol-2-one
PubChem CID115749773
Molecular FormulaC6H9NOS2
Molecular Weight175.28 g/mol
Exact Mass175.01
IUPAC Name3-(2-methylsulfanylethyl)-1,3-thiazol-2-one
SMILESCSCCn1ccsc1=O
InChIInChI=1S/C6H9NOS2/c1-9-4-2-7-3-5-10-6(7)8/h3,5H,2,4H2,1H3
InChIKeyJUZLQURLEPGPHF-UHFFFAOYSA-N
XLogP1.27
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-3H-thiazol-2-one
CID 12743050
3-Ethenyl-1,3-thiazolidin-2-one
CID 14094555
3-(2-Fluoroethyl)-1,3-thiazol-2-one
CID 115749769
3-[2-(Trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-one
CID 116622658
3-Ethyl-1,3-thiazol-2-one
CID 13828887
2H-1,3-thiazole-3-carbothioic S-acid
CID 87207423
3-Propan-2-yl-1,3-thiazol-2-one
CID 89103066
Ethane;3-methyl-1,3-thiazol-2-one
CID 91228224
3-Tert-butyl-1,3-thiazol-2-one
CID 118602686
1-(2-methyl-2H-1,3-thiazol-3-yl)ethanone
CID 141312711
2,2-Dimethyl-1,3-thiazole-3-carbonyl chloride
CID 141486503
2,2-Dimethyl-1,3-thiazole-3-carbaldehyde
CID 175310274

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfanylethyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(2-methylsulfanylethyl)-1,3-thiazol-2-one (CID 115749773) is 3-(2-methylsulfanylethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-methylsulfanylethyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-methylsulfanylethyl)-1,3-thiazol-2-one is CSCCn1ccsc1=O.
What is the InChIKey of 3-(2-methylsulfanylethyl)-1,3-thiazol-2-one?
The InChIKey is JUZLQURLEPGPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS2/c1-9-4-2-7-3-5-10-6(7)8/h3,5H,2,4H2,1H3.
What are the key properties of 3-(2-methylsulfanylethyl)-1,3-thiazol-2-one?
3-(2-methylsulfanylethyl)-1,3-thiazol-2-one has a molecular weight of 175.28 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfanylethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 115749773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).