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

C17H10N2O2S — CID 2217546

IUPAC3-(2-pyridin-3-yl-1,3-thiazol-4-yl)chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1csc(-c2cccnc2)n1
InChIInChI=1S/C17H10N2O2S/c20-17-13(8-11-4-1-2-6-15(11)21-17)14-10-22-16(19-14)12-5-3-7-18-9-12/h1-10H
InChIKeySVPGCGCCNHVDJL-UHFFFAOYSA-N
MW306.35 g/mol
LogP3.98
Rot. Bonds2

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

3-(2-pyridin-3-yl-1,3-thiazol-4-yl)chromen-2-one (PubChem CID 2217546) has the molecular formula C17H10N2O2S and a molecular weight of 306.35 g/mol. Its IUPAC name is 3-(2-pyridin-3-yl-1,3-thiazol-4-yl)chromen-2-one.

Molecular Properties

Compound Name3-(2-pyridin-3-yl-1,3-thiazol-4-yl)chromen-2-one
PubChem CID2217546
Molecular FormulaC17H10N2O2S
Molecular Weight306.35 g/mol
Exact Mass306.05
IUPAC Name3-(2-pyridin-3-yl-1,3-thiazol-4-yl)chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1csc(-c2cccnc2)n1
InChIInChI=1S/C17H10N2O2S/c20-17-13(8-11-4-1-2-6-15(11)21-17)14-10-22-16(19-14)12-5-3-7-18-9-12/h1-10H
InChIKeySVPGCGCCNHVDJL-UHFFFAOYSA-N
XLogP3.98
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 53.98
H-Bond Donors ≤ 50
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-pyridin-3-yl-1,3-thiazol-4-yl)chromen-2-one?
The IUPAC name of 3-(2-pyridin-3-yl-1,3-thiazol-4-yl)chromen-2-one (CID 2217546) is 3-(2-pyridin-3-yl-1,3-thiazol-4-yl)chromen-2-one.
What is the SMILES notation for 3-(2-pyridin-3-yl-1,3-thiazol-4-yl)chromen-2-one?
The canonical SMILES for 3-(2-pyridin-3-yl-1,3-thiazol-4-yl)chromen-2-one is O=c1oc2ccccc2cc1-c1csc(-c2cccnc2)n1.
What is the InChIKey of 3-(2-pyridin-3-yl-1,3-thiazol-4-yl)chromen-2-one?
The InChIKey is SVPGCGCCNHVDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O2S/c20-17-13(8-11-4-1-2-6-15(11)21-17)14-10-22-16(19-14)12-5-3-7-18-9-12/h1-10H.
What are the key properties of 3-(2-pyridin-3-yl-1,3-thiazol-4-yl)chromen-2-one?
3-(2-pyridin-3-yl-1,3-thiazol-4-yl)chromen-2-one has a molecular weight of 306.35 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-3-yl-1,3-thiazol-4-yl)chromen-2-one is sourced from PubChem (CID 2217546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).