2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethanethioamide

C6H8N2OS2 — CID 43287094

IUPAC2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethanethioamide
SMILESCc1csc(=O)n1CC(N)=S
InChIInChI=1S/C6H8N2OS2/c1-4-3-11-6(9)8(4)2-5(7)10/h3H,2H2,1H3,(H2,7,10)
InChIKeyQEZYDPQFODZCDM-UHFFFAOYSA-N
MW188.28 g/mol
LogP0.50
Rot. Bonds2

About 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethanethioamide

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethanethioamide (PubChem CID 43287094) has the molecular formula C6H8N2OS2 and a molecular weight of 188.28 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethanethioamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethanethioamide
PubChem CID43287094
Molecular FormulaC6H8N2OS2
Molecular Weight188.28 g/mol
Exact Mass188.01
IUPAC Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethanethioamide
SMILESCc1csc(=O)n1CC(N)=S
InChIInChI=1S/C6H8N2OS2/c1-4-3-11-6(9)8(4)2-5(7)10/h3H,2H2,1H3,(H2,7,10)
InChIKeyQEZYDPQFODZCDM-UHFFFAOYSA-N
XLogP0.50
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.28
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Aminoethyl)-4-methyl-1,3-thiazol-2-one
CID 43213975
4-[(dimethylamino)methyl]-3H-1,3-thiazol-2-one
CID 119091330
2-Methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanethioamide
CID 43287092
3-(4-Methyl-2-oxo-1,3-thiazol-3-yl)propanethioamide
CID 43287100
4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanethioamide
CID 43287103
4-Methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one
CID 60671012
4-Methyl-3-[2-(propylamino)ethyl]-1,3-thiazol-2-one
CID 60671974
4-Methyl-3-[2-(methylamino)ethyl]-1,3-thiazol-2-one
CID 60673049
3-[2-(Ethylamino)ethyl]-4-methyl-1,3-thiazol-2-one
CID 60673072
5-(4-Methyl-2-oxo-1,3-thiazol-3-yl)pentanethioamide
CID 61522388
2-(4,5-Dimethyl-2-oxo-1,3-thiazol-3-yl)ethanethioamide
CID 63312957
3-(2-Aminoethyl)-4-ethyl-1,3-thiazol-2-one
CID 82503306

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethanethioamide?
The IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethanethioamide (CID 43287094) is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethanethioamide.
What is the SMILES notation for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethanethioamide?
The canonical SMILES for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethanethioamide is Cc1csc(=O)n1CC(N)=S.
What is the InChIKey of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethanethioamide?
The InChIKey is QEZYDPQFODZCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS2/c1-4-3-11-6(9)8(4)2-5(7)10/h3H,2H2,1H3,(H2,7,10).
What are the key properties of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethanethioamide?
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethanethioamide has a molecular weight of 188.28 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethanethioamide is sourced from PubChem (CID 43287094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).