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

C18H12N2O2S — CID 830916

IUPAC3-(2-anilino-1,3-thiazol-4-yl)chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1csc(Nc2ccccc2)n1
InChIInChI=1S/C18H12N2O2S/c21-17-14(10-12-6-4-5-9-16(12)22-17)15-11-23-18(20-15)19-13-7-2-1-3-8-13/h1-11H,(H,19,20)
InChIKeyCBDWBPQGLFDFOG-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.66
Rot. Bonds3

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

3-(2-anilino-1,3-thiazol-4-yl)chromen-2-one (PubChem CID 830916) has the molecular formula C18H12N2O2S and a molecular weight of 320.37 g/mol. Its IUPAC name is 3-(2-anilino-1,3-thiazol-4-yl)chromen-2-one.

Molecular Properties

Compound Name3-(2-anilino-1,3-thiazol-4-yl)chromen-2-one
PubChem CID830916
Molecular FormulaC18H12N2O2S
Molecular Weight320.37 g/mol
Exact Mass320.06
IUPAC Name3-(2-anilino-1,3-thiazol-4-yl)chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1csc(Nc2ccccc2)n1
InChIInChI=1S/C18H12N2O2S/c21-17-14(10-12-6-4-5-9-16(12)22-17)15-11-23-18(20-15)19-13-7-2-1-3-8-13/h1-11H,(H,19,20)
InChIKeyCBDWBPQGLFDFOG-UHFFFAOYSA-N
XLogP4.66
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-anilino-1,3-thiazol-4-yl)chromen-2-one?
The IUPAC name of 3-(2-anilino-1,3-thiazol-4-yl)chromen-2-one (CID 830916) is 3-(2-anilino-1,3-thiazol-4-yl)chromen-2-one.
What is the SMILES notation for 3-(2-anilino-1,3-thiazol-4-yl)chromen-2-one?
The canonical SMILES for 3-(2-anilino-1,3-thiazol-4-yl)chromen-2-one is O=c1oc2ccccc2cc1-c1csc(Nc2ccccc2)n1.
What is the InChIKey of 3-(2-anilino-1,3-thiazol-4-yl)chromen-2-one?
The InChIKey is CBDWBPQGLFDFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2S/c21-17-14(10-12-6-4-5-9-16(12)22-17)15-11-23-18(20-15)19-13-7-2-1-3-8-13/h1-11H,(H,19,20).
What are the key properties of 3-(2-anilino-1,3-thiazol-4-yl)chromen-2-one?
3-(2-anilino-1,3-thiazol-4-yl)chromen-2-one has a molecular weight of 320.37 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-anilino-1,3-thiazol-4-yl)chromen-2-one is sourced from PubChem (CID 830916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).