7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-4-propylchromen-2-one

C24H23NO5S — CID 46583293

IUPAC7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(OCc3csc(-c4cccc(OC)c4OC)n3)ccc12
InChIInChI=1S/C24H23NO5S/c1-4-6-15-11-22(26)30-21-12-17(9-10-18(15)21)29-13-16-14-31-24(25-16)19-7-5-8-20(27-2)23(19)28-3/h5,7-12,14H,4,6,13H2,1-3H3
InChIKeyWSCXHQKQRRXWAJ-UHFFFAOYSA-N
MW437.52 g/mol
LogP5.47
Rot. Bonds8

About 7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-4-propylchromen-2-one

7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-4-propylchromen-2-one (PubChem CID 46583293) has the molecular formula C24H23NO5S and a molecular weight of 437.52 g/mol. Its IUPAC name is 7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-4-propylchromen-2-one.

Molecular Properties

Compound Name7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-4-propylchromen-2-one
PubChem CID46583293
Molecular FormulaC24H23NO5S
Molecular Weight437.52 g/mol
Exact Mass437.13
IUPAC Name7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(OCc3csc(-c4cccc(OC)c4OC)n3)ccc12
InChIInChI=1S/C24H23NO5S/c1-4-6-15-11-22(26)30-21-12-17(9-10-18(15)21)29-13-16-14-31-24(25-16)19-7-5-8-20(27-2)23(19)28-3/h5,7-12,14H,4,6,13H2,1-3H3
InChIKeyWSCXHQKQRRXWAJ-UHFFFAOYSA-N
XLogP5.47
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.52
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-4-propylchromen-2-one?
The IUPAC name of 7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-4-propylchromen-2-one (CID 46583293) is 7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-4-propylchromen-2-one.
What is the SMILES notation for 7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-4-propylchromen-2-one?
The canonical SMILES for 7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-4-propylchromen-2-one is CCCc1cc(=O)oc2cc(OCc3csc(-c4cccc(OC)c4OC)n3)ccc12.
What is the InChIKey of 7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-4-propylchromen-2-one?
The InChIKey is WSCXHQKQRRXWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5S/c1-4-6-15-11-22(26)30-21-12-17(9-10-18(15)21)29-13-16-14-31-24(25-16)19-7-5-8-20(27-2)23(19)28-3/h5,7-12,14H,4,6,13H2,1-3H3.
What are the key properties of 7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-4-propylchromen-2-one?
7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-4-propylchromen-2-one has a molecular weight of 437.52 g/mol, XLogP of 5.47, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-4-propylchromen-2-one is sourced from PubChem (CID 46583293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).