4-methyl-3-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazol-2-one

C13H15NOS2 — CID 86908727

IUPAC4-methyl-3-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazol-2-one
SMILESCc1ccc(SCCn2c(C)csc2=O)cc1
InChIInChI=1S/C13H15NOS2/c1-10-3-5-12(6-4-10)16-8-7-14-11(2)9-17-13(14)15/h3-6,9H,7-8H2,1-2H3
InChIKeyGNLLGCKSZIXIQF-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.32
Rot. Bonds4

About 4-methyl-3-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazol-2-one

4-methyl-3-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazol-2-one (PubChem CID 86908727) has the molecular formula C13H15NOS2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-methyl-3-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-3-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazol-2-one
PubChem CID86908727
Molecular FormulaC13H15NOS2
Molecular Weight265.40 g/mol
Exact Mass265.06
IUPAC Name4-methyl-3-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazol-2-one
SMILESCc1ccc(SCCn2c(C)csc2=O)cc1
InChIInChI=1S/C13H15NOS2/c1-10-3-5-12(6-4-10)16-8-7-14-11(2)9-17-13(14)15/h3-6,9H,7-8H2,1-2H3
InChIKeyGNLLGCKSZIXIQF-UHFFFAOYSA-N
XLogP3.32
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-3-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazol-2-one (CID 86908727) is 4-methyl-3-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-3-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-3-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazol-2-one is Cc1ccc(SCCn2c(C)csc2=O)cc1.
What is the InChIKey of 4-methyl-3-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazol-2-one?
The InChIKey is GNLLGCKSZIXIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS2/c1-10-3-5-12(6-4-10)16-8-7-14-11(2)9-17-13(14)15/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 4-methyl-3-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazol-2-one?
4-methyl-3-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazol-2-one has a molecular weight of 265.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 86908727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).