1-(4-methyl-1,3-thiazol-2-yl)-4-sulfanylpyrrolidin-2-one

C8H10N2OS2 — CID 168709125

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-4-sulfanylpyrrolidin-2-one
SMILESCc1csc(N2CC(S)CC2=O)n1
InChIInChI=1S/C8H10N2OS2/c1-5-4-13-8(9-5)10-3-6(12)2-7(10)11/h4,6,12H,2-3H2,1H3
InChIKeyOQDSLIDUVOWBCJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.49
Rot. Bonds1

About 1-(4-methyl-1,3-thiazol-2-yl)-4-sulfanylpyrrolidin-2-one

1-(4-methyl-1,3-thiazol-2-yl)-4-sulfanylpyrrolidin-2-one (PubChem CID 168709125) has the molecular formula C8H10N2OS2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-4-sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-4-sulfanylpyrrolidin-2-one
PubChem CID168709125
Molecular FormulaC8H10N2OS2
Molecular Weight214.31 g/mol
Exact Mass214.02
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-4-sulfanylpyrrolidin-2-one
SMILESCc1csc(N2CC(S)CC2=O)n1
InChIInChI=1S/C8H10N2OS2/c1-5-4-13-8(9-5)10-3-6(12)2-7(10)11/h4,6,12H,2-3H2,1H3
InChIKeyOQDSLIDUVOWBCJ-UHFFFAOYSA-N
XLogP1.49
TPSA33.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-4-sulfanylpyrrolidin-2-one?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-4-sulfanylpyrrolidin-2-one (CID 168709125) is 1-(4-methyl-1,3-thiazol-2-yl)-4-sulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-4-sulfanylpyrrolidin-2-one?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-4-sulfanylpyrrolidin-2-one is Cc1csc(N2CC(S)CC2=O)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-4-sulfanylpyrrolidin-2-one?
The InChIKey is OQDSLIDUVOWBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS2/c1-5-4-13-8(9-5)10-3-6(12)2-7(10)11/h4,6,12H,2-3H2,1H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-4-sulfanylpyrrolidin-2-one?
1-(4-methyl-1,3-thiazol-2-yl)-4-sulfanylpyrrolidin-2-one has a molecular weight of 214.31 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-4-sulfanylpyrrolidin-2-one is sourced from PubChem (CID 168709125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).