1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-sulfanylpyrrolidin-2-one

C10H14N2OS2 — CID 168708979

IUPAC1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-sulfanylpyrrolidin-2-one
SMILESCc1nc(C)c(CN2CC(S)CC2=O)s1
InChIInChI=1S/C10H14N2OS2/c1-6-9(15-7(2)11-6)5-12-4-8(14)3-10(12)13/h8,14H,3-5H2,1-2H3
InChIKeyJZZWKIVGUKWTBH-UHFFFAOYSA-N
MW242.37 g/mol
LogP1.79
Rot. Bonds2

About 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-sulfanylpyrrolidin-2-one

1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-sulfanylpyrrolidin-2-one (PubChem CID 168708979) has the molecular formula C10H14N2OS2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-sulfanylpyrrolidin-2-one
PubChem CID168708979
Molecular FormulaC10H14N2OS2
Molecular Weight242.37 g/mol
Exact Mass242.05
IUPAC Name1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-sulfanylpyrrolidin-2-one
SMILESCc1nc(C)c(CN2CC(S)CC2=O)s1
InChIInChI=1S/C10H14N2OS2/c1-6-9(15-7(2)11-6)5-12-4-8(14)3-10(12)13/h8,14H,3-5H2,1-2H3
InChIKeyJZZWKIVGUKWTBH-UHFFFAOYSA-N
XLogP1.79
TPSA33.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 51.79
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-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-sulfanylpyrrolidin-2-one?
The IUPAC name of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-sulfanylpyrrolidin-2-one (CID 168708979) is 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-sulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-sulfanylpyrrolidin-2-one?
The canonical SMILES for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-sulfanylpyrrolidin-2-one is Cc1nc(C)c(CN2CC(S)CC2=O)s1.
What is the InChIKey of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-sulfanylpyrrolidin-2-one?
The InChIKey is JZZWKIVGUKWTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS2/c1-6-9(15-7(2)11-6)5-12-4-8(14)3-10(12)13/h8,14H,3-5H2,1-2H3.
What are the key properties of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-sulfanylpyrrolidin-2-one?
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-sulfanylpyrrolidin-2-one has a molecular weight of 242.37 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-sulfanylpyrrolidin-2-one is sourced from PubChem (CID 168708979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).