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

C7H10N2OS2 — CID 43287100

IUPAC3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanethioamide
SMILESCc1csc(=O)n1CCC(N)=S
InChIInChI=1S/C7H10N2OS2/c1-5-4-12-7(10)9(5)3-2-6(8)11/h4H,2-3H2,1H3,(H2,8,11)
InChIKeyOYEQDROZBADARV-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.89
Rot. Bonds3

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

3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanethioamide (PubChem CID 43287100) has the molecular formula C7H10N2OS2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanethioamide.

Molecular Properties

Compound Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanethioamide
PubChem CID43287100
Molecular FormulaC7H10N2OS2
Molecular Weight202.30 g/mol
Exact Mass202.02
IUPAC Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanethioamide
SMILESCc1csc(=O)n1CCC(N)=S
InChIInChI=1S/C7H10N2OS2/c1-5-4-12-7(10)9(5)3-2-6(8)11/h4H,2-3H2,1H3,(H2,8,11)
InChIKeyOYEQDROZBADARV-UHFFFAOYSA-N
XLogP0.89
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanethioamide?
The IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanethioamide (CID 43287100) is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanethioamide.
What is the SMILES notation for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanethioamide?
The canonical SMILES for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanethioamide is Cc1csc(=O)n1CCC(N)=S.
What is the InChIKey of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanethioamide?
The InChIKey is OYEQDROZBADARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS2/c1-5-4-12-7(10)9(5)3-2-6(8)11/h4H,2-3H2,1H3,(H2,8,11).
What are the key properties of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanethioamide?
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanethioamide has a molecular weight of 202.30 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanethioamide is sourced from PubChem (CID 43287100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).