2-methylsulfanyl-1-(1,3-thiazolidin-3-yl)ethanone

C6H11NOS2 — CID 127015662

IUPAC2-methylsulfanyl-1-(1,3-thiazolidin-3-yl)ethanone
SMILESCSCC(=O)N1CCSC1
InChIInChI=1S/C6H11NOS2/c1-9-4-6(8)7-2-3-10-5-7/h2-5H2,1H3
InChIKeyXVDIBKULEHMFEG-UHFFFAOYSA-N
MW177.29 g/mol
LogP0.88
Rot. Bonds2

About 2-methylsulfanyl-1-(1,3-thiazolidin-3-yl)ethanone

2-methylsulfanyl-1-(1,3-thiazolidin-3-yl)ethanone (PubChem CID 127015662) has the molecular formula C6H11NOS2 and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-methylsulfanyl-1-(1,3-thiazolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-methylsulfanyl-1-(1,3-thiazolidin-3-yl)ethanone
PubChem CID127015662
Molecular FormulaC6H11NOS2
Molecular Weight177.29 g/mol
Exact Mass177.03
IUPAC Name2-methylsulfanyl-1-(1,3-thiazolidin-3-yl)ethanone
SMILESCSCC(=O)N1CCSC1
InChIInChI=1S/C6H11NOS2/c1-9-4-6(8)7-2-3-10-5-7/h2-5H2,1H3
InChIKeyXVDIBKULEHMFEG-UHFFFAOYSA-N
XLogP0.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Thiazolidinone, 3-methyl-2-thioxo-
CID 72900
3-Ethylrhodanine
CID 82098
3-Butyl-2-thio-4-thiazolidinone
CID 88926
4-Thiazolidinone, 3-propyl-2-thioxo-
CID 170162
3-Methyl-1,3-thiazolidine-2,4-dione
CID 1282062
3-Ethyl-2,4-thiazolidinedione
CID 5168051
Acetamide, N,N-diethyl-2-methylthio-
CID 139804
3-(Methylsulfanyl)-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 131204503
2-Thiazolidinethione, 3-(1-oxopropyl)-
CID 11457987
1-(2-Sulfanylidene-1,3-thiazolidin-3-yl)ethan-1-one
CID 11789521
3-(2-Methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 12220058
3-Ethyl-5-methyl-rhodanine
CID 12220064

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1-(1,3-thiazolidin-3-yl)ethanone?
The IUPAC name of 2-methylsulfanyl-1-(1,3-thiazolidin-3-yl)ethanone (CID 127015662) is 2-methylsulfanyl-1-(1,3-thiazolidin-3-yl)ethanone.
What is the SMILES notation for 2-methylsulfanyl-1-(1,3-thiazolidin-3-yl)ethanone?
The canonical SMILES for 2-methylsulfanyl-1-(1,3-thiazolidin-3-yl)ethanone is CSCC(=O)N1CCSC1.
What is the InChIKey of 2-methylsulfanyl-1-(1,3-thiazolidin-3-yl)ethanone?
The InChIKey is XVDIBKULEHMFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS2/c1-9-4-6(8)7-2-3-10-5-7/h2-5H2,1H3.
What are the key properties of 2-methylsulfanyl-1-(1,3-thiazolidin-3-yl)ethanone?
2-methylsulfanyl-1-(1,3-thiazolidin-3-yl)ethanone has a molecular weight of 177.29 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1-(1,3-thiazolidin-3-yl)ethanone is sourced from PubChem (CID 127015662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).