2-benzyl-1,2-thiazol-3-one

C10H9NOS — CID 647455

IUPAC2-benzyl-1,2-thiazol-3-one
SMILESO=c1ccsn1Cc1ccccc1
InChIInChI=1S/C10H9NOS/c12-10-6-7-13-11(10)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyUJFZDOCYWCYDMB-UHFFFAOYSA-N
MW191.26 g/mol
LogP1.96
Rot. Bonds2

About 2-benzyl-1,2-thiazol-3-one

2-benzyl-1,2-thiazol-3-one (PubChem CID 647455) has the molecular formula C10H9NOS and a molecular weight of 191.26 g/mol. Its IUPAC name is 2-benzyl-1,2-thiazol-3-one.

Molecular Properties

Compound Name2-benzyl-1,2-thiazol-3-one
PubChem CID647455
Molecular FormulaC10H9NOS
Molecular Weight191.26 g/mol
Exact Mass191.04
IUPAC Name2-benzyl-1,2-thiazol-3-one
SMILESO=c1ccsn1Cc1ccccc1
InChIInChI=1S/C10H9NOS/c12-10-6-7-13-11(10)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyUJFZDOCYWCYDMB-UHFFFAOYSA-N
XLogP1.96
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,2-thiazol-3-one?
The IUPAC name of 2-benzyl-1,2-thiazol-3-one (CID 647455) is 2-benzyl-1,2-thiazol-3-one.
What is the SMILES notation for 2-benzyl-1,2-thiazol-3-one?
The canonical SMILES for 2-benzyl-1,2-thiazol-3-one is O=c1ccsn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1,2-thiazol-3-one?
The InChIKey is UJFZDOCYWCYDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c12-10-6-7-13-11(10)8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 2-benzyl-1,2-thiazol-3-one?
2-benzyl-1,2-thiazol-3-one has a molecular weight of 191.26 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,2-thiazol-3-one is sourced from PubChem (CID 647455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).