8-methoxy-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]chromen-2-one

C20H15NO3S — CID 60615748

IUPAC8-methoxy-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]chromen-2-one
SMILESCOc1cccc2cc(-c3csc(-c4ccc(C)cc4)n3)c(=O)oc12
InChIInChI=1S/C20H15NO3S/c1-12-6-8-13(9-7-12)19-21-16(11-25-19)15-10-14-4-3-5-17(23-2)18(14)24-20(15)22/h3-11H,1-2H3
InChIKeySDSPZNSBKQMKDP-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.90
Rot. Bonds3

About 8-methoxy-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]chromen-2-one

8-methoxy-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]chromen-2-one (PubChem CID 60615748) has the molecular formula C20H15NO3S and a molecular weight of 349.41 g/mol. Its IUPAC name is 8-methoxy-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]chromen-2-one.

Molecular Properties

Compound Name8-methoxy-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]chromen-2-one
PubChem CID60615748
Molecular FormulaC20H15NO3S
Molecular Weight349.41 g/mol
Exact Mass349.08
IUPAC Name8-methoxy-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]chromen-2-one
SMILESCOc1cccc2cc(-c3csc(-c4ccc(C)cc4)n3)c(=O)oc12
InChIInChI=1S/C20H15NO3S/c1-12-6-8-13(9-7-12)19-21-16(11-25-19)15-10-14-4-3-5-17(23-2)18(14)24-20(15)22/h3-11H,1-2H3
InChIKeySDSPZNSBKQMKDP-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'}

Analyze 8-methoxy-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-methoxy-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-2-one
CID 3239008
8-methoxy-3-[2-(3-methylanilino)-1,3-thiazol-4-yl]chromen-2-one
CID 1108270
3-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-8-methoxychromen-2-one
CID 3430818
8-methoxy-3-[2-[(2Z)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 7573717
8-methoxy-3-phenylchromen-2-one
CID 2195449
3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-8-methoxychromen-2-one
CID 1128729
3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-8-methoxychromen-2-one
CID 1159991
3-[2-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-4-yl]-8-methoxychromen-2-one
CID 46395038
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-8-methoxychromen-2-one
CID 20904244
3-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]-8-methoxychromen-2-one
CID 3139713
4-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 8963152
3-(2-amino-1,3-thiazol-4-yl)-8-ethoxychromen-2-one
CID 5207452

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]chromen-2-one?
The IUPAC name of 8-methoxy-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]chromen-2-one (CID 60615748) is 8-methoxy-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]chromen-2-one.
What is the SMILES notation for 8-methoxy-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]chromen-2-one?
The canonical SMILES for 8-methoxy-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]chromen-2-one is COc1cccc2cc(-c3csc(-c4ccc(C)cc4)n3)c(=O)oc12.
What is the InChIKey of 8-methoxy-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]chromen-2-one?
The InChIKey is SDSPZNSBKQMKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3S/c1-12-6-8-13(9-7-12)19-21-16(11-25-19)15-10-14-4-3-5-17(23-2)18(14)24-20(15)22/h3-11H,1-2H3.
What are the key properties of 8-methoxy-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]chromen-2-one?
8-methoxy-3-[2-(4-methylphenyl)-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 8-methoxy-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]chromen-2-one is sourced from PubChem (CID 60615748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).