2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C16H14N2O4S — CID 2092670

IUPAC2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)n1
InChIInChI=1S/C16H14N2O4S/c1-9-5-15(20)22-13-6-11(3-4-12(9)13)21-7-14(19)18-16-17-10(2)8-23-16/h3-6,8H,7H2,1-2H3,(H,17,18,19)
InChIKeyMZIREAKSOZYRES-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.88
Rot. Bonds4

About 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 2092670) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID2092670
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)n1
InChIInChI=1S/C16H14N2O4S/c1-9-5-15(20)22-13-6-11(3-4-12(9)13)21-7-14(19)18-16-17-10(2)8-23-16/h3-6,8H,7H2,1-2H3,(H,17,18,19)
InChIKeyMZIREAKSOZYRES-UHFFFAOYSA-N
XLogP2.88
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Ethyl (2-{[(4-methylphenoxy)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 2066145
ethyl 2-(4-oxo-4H-chromene-2-carboxamido)thiazole-4-carboxylate
CID 3386436
Ethyl 2-[2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 3548924
2-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)-N-(thiazol-2-yl)acetamide
CID 8057412
2-((2-oxo-2H-chromen-7-yl)oxy)-N-(thiazol-2-yl)acetamide
CID 8071374
ethyl 2-(2-(2-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)thiazol-4-yl)acetate
CID 1078094
2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-1,3-thiazol-2-ylpropanamide
CID 2969827
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 4063852
2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(1,3-thiazol-2-yl)acetamide
CID 8069390
2-((3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy)-N-(thiazol-2-yl)acetamide
CID 8070055
N-(5-acetyl-4-methylthiazol-2-yl)-2-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)propanamide
CID 2967627
ethyl [2-({2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)-1,3-thiazol-4-yl]acetate
CID 2967769

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 2092670) is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)n1.
What is the InChIKey of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is MZIREAKSOZYRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-9-5-15(20)22-13-6-11(3-4-12(9)13)21-7-14(19)18-16-17-10(2)8-23-16/h3-6,8H,7H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 330.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2092670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).