4-phenyl-3H-1,3-thiazol-2-one

C9H7NOS — CID 698903

IUPAC4-phenyl-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(-c2ccccc2)cs1
InChIInChI=1S/C9H7NOS/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
InChIKeyUXIWLHNMLDJWMF-UHFFFAOYSA-N
MW177.23 g/mol
LogP2.10
Rot. Bonds1

About 4-phenyl-3H-1,3-thiazol-2-one

4-phenyl-3H-1,3-thiazol-2-one (PubChem CID 698903) has the molecular formula C9H7NOS and a molecular weight of 177.23 g/mol. Its IUPAC name is 4-phenyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-phenyl-3H-1,3-thiazol-2-one
PubChem CID698903
Molecular FormulaC9H7NOS
Molecular Weight177.23 g/mol
Exact Mass177.02
IUPAC Name4-phenyl-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(-c2ccccc2)cs1
InChIInChI=1S/C9H7NOS/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
InChIKeyUXIWLHNMLDJWMF-UHFFFAOYSA-N
XLogP2.10
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3H-1,3-thiazol-2-one?
The IUPAC name of 4-phenyl-3H-1,3-thiazol-2-one (CID 698903) is 4-phenyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-phenyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-phenyl-3H-1,3-thiazol-2-one is O=c1[nH]c(-c2ccccc2)cs1.
What is the InChIKey of 4-phenyl-3H-1,3-thiazol-2-one?
The InChIKey is UXIWLHNMLDJWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NOS/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11).
What are the key properties of 4-phenyl-3H-1,3-thiazol-2-one?
4-phenyl-3H-1,3-thiazol-2-one has a molecular weight of 177.23 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 698903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).