2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C15H13N3O4S — CID 675228

IUPAC2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)s1
InChIInChI=1S/C15H13N3O4S/c1-8-5-14(20)22-12-6-10(3-4-11(8)12)21-7-13(19)16-15-18-17-9(2)23-15/h3-6H,7H2,1-2H3,(H,16,18,19)
InChIKeyYKZWIEYSZCRRJU-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.28
Rot. Bonds4

About 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 675228) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID675228
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)s1
InChIInChI=1S/C15H13N3O4S/c1-8-5-14(20)22-12-6-10(3-4-11(8)12)21-7-13(19)16-15-18-17-9(2)23-15/h3-6H,7H2,1-2H3,(H,16,18,19)
InChIKeyYKZWIEYSZCRRJU-UHFFFAOYSA-N
XLogP2.28
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-[5-[[2-(4-methylphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate
CID 665231
N-[5-(ethylpropyl)(1,3,4-thiadiazol-2-yl)]-2-(4-methyl-2-oxochromen-7-yloxy)ac etamide
CID 1579419
2-(2-methylphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 2203190
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2394599
2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2967064
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 4879857
2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1194279
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2518713
7-[[5-(Methylamino)-1,3,4-thiadiazol-2-yl]methoxy]-4-phenylchromen-2-one
CID 155528849
7-[[5-(Ethylamino)-1,3,4-thiadiazol-2-yl]methoxy]-4-phenylchromen-2-one
CID 155554759
2-(2-methylphenoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17218037
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 708618

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 675228) is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)s1.
What is the InChIKey of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is YKZWIEYSZCRRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S/c1-8-5-14(20)22-12-6-10(3-4-11(8)12)21-7-13(19)16-15-18-17-9(2)23-15/h3-6H,7H2,1-2H3,(H,16,18,19).
What are the key properties of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 331.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 675228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).