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

C8H12N2OS2 — CID 43287092

IUPAC2-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanethioamide
SMILESCc1csc(=O)n1CC(C)C(N)=S
InChIInChI=1S/C8H12N2OS2/c1-5(7(9)12)3-10-6(2)4-13-8(10)11/h4-5H,3H2,1-2H3,(H2,9,12)
InChIKeyOLPPSDNNEZAUKP-UHFFFAOYSA-N
MW216.33 g/mol
LogP1.14
Rot. Bonds3

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

2-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanethioamide (PubChem CID 43287092) has the molecular formula C8H12N2OS2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanethioamide.

Molecular Properties

Compound Name2-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanethioamide
PubChem CID43287092
Molecular FormulaC8H12N2OS2
Molecular Weight216.33 g/mol
Exact Mass216.04
IUPAC Name2-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanethioamide
SMILESCc1csc(=O)n1CC(C)C(N)=S
InChIInChI=1S/C8H12N2OS2/c1-5(7(9)12)3-10-6(2)4-13-8(10)11/h4-5H,3H2,1-2H3,(H2,9,12)
InChIKeyOLPPSDNNEZAUKP-UHFFFAOYSA-N
XLogP1.14
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.14
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 2-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanethioamide?
The IUPAC name of 2-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanethioamide (CID 43287092) is 2-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanethioamide.
What is the SMILES notation for 2-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanethioamide?
The canonical SMILES for 2-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanethioamide is Cc1csc(=O)n1CC(C)C(N)=S.
What is the InChIKey of 2-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanethioamide?
The InChIKey is OLPPSDNNEZAUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS2/c1-5(7(9)12)3-10-6(2)4-13-8(10)11/h4-5H,3H2,1-2H3,(H2,9,12).
What are the key properties of 2-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanethioamide?
2-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanethioamide has a molecular weight of 216.33 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanethioamide is sourced from PubChem (CID 43287092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).