3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one

C18H11NO2S — CID 746758

IUPAC3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H11NO2S/c20-18-14(10-13-8-4-5-9-16(13)21-18)17-19-15(11-22-17)12-6-2-1-3-7-12/h1-11H
InChIKeyRFSVQIQUCIQDRC-UHFFFAOYSA-N
MW305.36 g/mol
LogP4.58
Rot. Bonds2

About 3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one

3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one (PubChem CID 746758) has the molecular formula C18H11NO2S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one.

Molecular Properties

Compound Name3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one
PubChem CID746758
Molecular FormulaC18H11NO2S
Molecular Weight305.36 g/mol
Exact Mass305.05
IUPAC Name3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H11NO2S/c20-18-14(10-13-8-4-5-9-16(13)21-18)17-19-15(11-22-17)12-6-2-1-3-7-12/h1-11H
InChIKeyRFSVQIQUCIQDRC-UHFFFAOYSA-N
XLogP4.58
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one?
The IUPAC name of 3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one (CID 746758) is 3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one.
What is the SMILES notation for 3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one?
The canonical SMILES for 3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one is O=c1oc2ccccc2cc1-c1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one?
The InChIKey is RFSVQIQUCIQDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO2S/c20-18-14(10-13-8-4-5-9-16(13)21-18)17-19-15(11-22-17)12-6-2-1-3-7-12/h1-11H.
What are the key properties of 3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one?
3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one has a molecular weight of 305.36 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one is sourced from PubChem (CID 746758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).