2-benzyl-1,3-thiazol-4-one

C10H9NOS — CID 4520555

IUPAC2-benzyl-1,3-thiazol-4-one
SMILESO=C1CSC(Cc2ccccc2)=N1
InChIInChI=1S/C10H9NOS/c12-9-7-13-10(11-9)6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyVQHCRYKUFUMWGP-UHFFFAOYSA-N
MW191.26 g/mol
LogP1.90
Rot. Bonds2

About 2-benzyl-1,3-thiazol-4-one

2-benzyl-1,3-thiazol-4-one (PubChem CID 4520555) has the molecular formula C10H9NOS and a molecular weight of 191.26 g/mol. Its IUPAC name is 2-benzyl-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-benzyl-1,3-thiazol-4-one
PubChem CID4520555
Molecular FormulaC10H9NOS
Molecular Weight191.26 g/mol
Exact Mass191.04
IUPAC Name2-benzyl-1,3-thiazol-4-one
SMILESO=C1CSC(Cc2ccccc2)=N1
InChIInChI=1S/C10H9NOS/c12-9-7-13-10(11-9)6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyVQHCRYKUFUMWGP-UHFFFAOYSA-N
XLogP1.90
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,3-thiazol-4-one?
The IUPAC name of 2-benzyl-1,3-thiazol-4-one (CID 4520555) is 2-benzyl-1,3-thiazol-4-one.
What is the SMILES notation for 2-benzyl-1,3-thiazol-4-one?
The canonical SMILES for 2-benzyl-1,3-thiazol-4-one is O=C1CSC(Cc2ccccc2)=N1.
What is the InChIKey of 2-benzyl-1,3-thiazol-4-one?
The InChIKey is VQHCRYKUFUMWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c12-9-7-13-10(11-9)6-8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 2-benzyl-1,3-thiazol-4-one?
2-benzyl-1,3-thiazol-4-one has a molecular weight of 191.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,3-thiazol-4-one is sourced from PubChem (CID 4520555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).