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

C14H13NO3S — CID 142841547

IUPAC7-methoxy-3-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)chromen-2-one
SMILESCOc1ccc2cc(C3=CSC(C)N3)c(=O)oc2c1
InChIInChI=1S/C14H13NO3S/c1-8-15-12(7-19-8)11-5-9-3-4-10(17-2)6-13(9)18-14(11)16/h3-8,15H,1-2H3
InChIKeyGKKXMHGXIMJZJO-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.78
Rot. Bonds2

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

7-methoxy-3-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)chromen-2-one (PubChem CID 142841547) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 7-methoxy-3-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)chromen-2-one.

Molecular Properties

Compound Name7-methoxy-3-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)chromen-2-one
PubChem CID142841547
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name7-methoxy-3-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)chromen-2-one
SMILESCOc1ccc2cc(C3=CSC(C)N3)c(=O)oc2c1
InChIInChI=1S/C14H13NO3S/c1-8-15-12(7-19-8)11-5-9-3-4-10(17-2)6-13(9)18-14(11)16/h3-8,15H,1-2H3
InChIKeyGKKXMHGXIMJZJO-UHFFFAOYSA-N
XLogP2.78
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-methoxy-3-(2-methyl-2,3-dihydro-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

7-methoxy-3-(4-methylphenyl)chromen-2-one
CID 73211962
3-(2-hydroxy-5-methoxyphenyl)-7-methoxychromen-2-one
CID 156776464
3-(4-bromophenyl)-7-methoxychromen-2-one
CID 688900
7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one
CID 155816497
7-methoxy-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one
CID 22423891
7-methoxy-3-(3-methylphenyl)chromen-2-one
CID 87584032
7-methoxy-2-oxochromene-3-carbaldehyde
CID 10420437
[3-(2,4-dimethoxyphenyl)-2-oxochromen-7-yl] cyclopropanecarboxylate
CID 4964484
3-[5-(3,4-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-7-methoxychromen-2-one
CID 3623409
8-methoxy-2-sulfanylidenechromeno[2,3-d]pyrimidin-4-one
CID 129279520
7-(7-methoxy-2-oxochromen-3-yl)-4-methylchromen-2-one
CID 57040654
7-methoxy-3-prop-1-en-2-ylchromen-2-one
CID 24787160

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)chromen-2-one?
The IUPAC name of 7-methoxy-3-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)chromen-2-one (CID 142841547) is 7-methoxy-3-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)chromen-2-one.
What is the SMILES notation for 7-methoxy-3-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)chromen-2-one?
The canonical SMILES for 7-methoxy-3-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)chromen-2-one is COc1ccc2cc(C3=CSC(C)N3)c(=O)oc2c1.
What is the InChIKey of 7-methoxy-3-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)chromen-2-one?
The InChIKey is GKKXMHGXIMJZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-8-15-12(7-19-8)11-5-9-3-4-10(17-2)6-13(9)18-14(11)16/h3-8,15H,1-2H3.
What are the key properties of 7-methoxy-3-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)chromen-2-one?
7-methoxy-3-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)chromen-2-one has a molecular weight of 275.33 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)chromen-2-one is sourced from PubChem (CID 142841547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).