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

C18H19N3O4S — CID 4879857

IUPAC2-(4-methyl-2-oxochromen-7-yl)oxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3nnc(CC(C)C)s3)ccc12
InChIInChI=1S/C18H19N3O4S/c1-10(2)6-16-20-21-18(26-16)19-15(22)9-24-12-4-5-13-11(3)7-17(23)25-14(13)8-12/h4-5,7-8,10H,6,9H2,1-3H3,(H,19,21,22)
InChIKeyRPLRIDUIBGXHAR-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.17
Rot. Bonds6

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

2-(4-methyl-2-oxochromen-7-yl)oxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 4879857) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID4879857
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3nnc(CC(C)C)s3)ccc12
InChIInChI=1S/C18H19N3O4S/c1-10(2)6-16-20-21-18(26-16)19-15(22)9-24-12-4-5-13-11(3)7-17(23)25-14(13)8-12/h4-5,7-8,10H,6,9H2,1-3H3,(H,19,21,22)
InChIKeyRPLRIDUIBGXHAR-UHFFFAOYSA-N
XLogP3.17
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.17
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

N-(5-Cyclohexyl-[1,3,4]thiadiazol-2-yl)-2-o-tolyloxy-acetamide
CID 929487
Ethyl 2-[5-[[2-(4-methylphenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate
CID 665231
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 675228
N-[5-(ethylpropyl)(1,3,4-thiadiazol-2-yl)]-2-(4-methyl-2-oxochromen-7-yloxy)ac etamide
CID 1579419
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
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 2669797
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide
CID 2669923
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 921376
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 4800328
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-[(2E)-5-cyclopentyl-1,3,4-thiadiazol-2(3H)-ylidene]-2-(2-methylphenoxy)acetamide
CID 921788

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 4879857) is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide is Cc1cc(=O)oc2cc(OCC(=O)Nc3nnc(CC(C)C)s3)ccc12.
What is the InChIKey of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is RPLRIDUIBGXHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-10(2)6-16-20-21-18(26-16)19-15(22)9-24-12-4-5-13-11(3)7-17(23)25-14(13)8-12/h4-5,7-8,10H,6,9H2,1-3H3,(H,19,21,22).
What are the key properties of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 373.43 g/mol, XLogP of 3.17, 6 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-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 4879857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).