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

C20H15NO3S — CID 4282806

IUPAC7-methoxy-4-methyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-2-one
SMILESCOc1ccc2c(C)c(-c3csc(-c4ccccc4)n3)c(=O)oc2c1
InChIInChI=1S/C20H15NO3S/c1-12-15-9-8-14(23-2)10-17(15)24-20(22)18(12)16-11-25-19(21-16)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyVBRZZRLJTMZUJO-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.90
Rot. Bonds3

About 7-methoxy-4-methyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-2-one

7-methoxy-4-methyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-2-one (PubChem CID 4282806) has the molecular formula C20H15NO3S and a molecular weight of 349.41 g/mol. Its IUPAC name is 7-methoxy-4-methyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-2-one.

Molecular Properties

Compound Name7-methoxy-4-methyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-2-one
PubChem CID4282806
Molecular FormulaC20H15NO3S
Molecular Weight349.41 g/mol
Exact Mass349.08
IUPAC Name7-methoxy-4-methyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-2-one
SMILESCOc1ccc2c(C)c(-c3csc(-c4ccccc4)n3)c(=O)oc2c1
InChIInChI=1S/C20H15NO3S/c1-12-15-9-8-14(23-2)10-17(15)24-20(22)18(12)16-11-25-19(21-16)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyVBRZZRLJTMZUJO-UHFFFAOYSA-N
XLogP4.90
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-methyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-2-one
CID 2468825
7-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one
CID 44963511
3-(3,4-dichlorophenyl)-7-methoxy-4-methylchromen-2-one
CID 2372490
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
7-ethoxy-3-(4-methoxyphenyl)-4-phenylchromen-2-one
CID 5038923
3-(4-methoxyphenyl)-4-methyl-7-[(4-methylphenyl)methoxy]chromen-2-one
CID 44963741
3-(4-chloro-2-methoxyphenyl)-7-methoxy-4-methylchromen-2-one
CID 118183882
methyl 2-[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl]oxyacetate
CID 7198355
(4-methyl-2-oxo-3-phenylchromen-7-yl) 2-methoxybenzoate
CID 44963548
6-methoxy-2-methyl-3-phenyl-1-benzofuran
CID 3448866
3-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-4-methylchromen-2-one;ethane
CID 143265869
3,4-dimethyl-7-[(3-phenyl-1,2-oxazol-5-yl)methoxy]chromen-2-one
CID 15066975

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-methyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-2-one?
The IUPAC name of 7-methoxy-4-methyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-2-one (CID 4282806) is 7-methoxy-4-methyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-2-one.
What is the SMILES notation for 7-methoxy-4-methyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-2-one?
The canonical SMILES for 7-methoxy-4-methyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-2-one is COc1ccc2c(C)c(-c3csc(-c4ccccc4)n3)c(=O)oc2c1.
What is the InChIKey of 7-methoxy-4-methyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-2-one?
The InChIKey is VBRZZRLJTMZUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3S/c1-12-15-9-8-14(23-2)10-17(15)24-20(22)18(12)16-11-25-19(21-16)13-6-4-3-5-7-13/h3-11H,1-2H3.
What are the key properties of 7-methoxy-4-methyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-2-one?
7-methoxy-4-methyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-2-one has a molecular weight of 349.41 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-methyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-2-one is sourced from PubChem (CID 4282806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).