N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C17H15N3O4S — CID 2394599

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3nnc(C4CC4)s3)ccc12
InChIInChI=1S/C17H15N3O4S/c1-9-6-15(22)24-13-7-11(4-5-12(9)13)23-8-14(21)18-17-20-19-16(25-17)10-2-3-10/h4-7,10H,2-3,8H2,1H3,(H,18,20,21)
InChIKeyVVRMQOFLUBPWMQ-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.85
Rot. Bonds5

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

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 2394599) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID2394599
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3nnc(C4CC4)s3)ccc12
InChIInChI=1S/C17H15N3O4S/c1-9-6-15(22)24-13-7-11(4-5-12(9)13)23-8-14(21)18-17-20-19-16(25-17)10-2-3-10/h4-7,10H,2-3,8H2,1H3,(H,18,20,21)
InChIKeyVVRMQOFLUBPWMQ-UHFFFAOYSA-N
XLogP2.85
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.85
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
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
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 N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 2394599) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is Cc1cc(=O)oc2cc(OCC(=O)Nc3nnc(C4CC4)s3)ccc12.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is VVRMQOFLUBPWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-9-6-15(22)24-13-7-11(4-5-12(9)13)23-8-14(21)18-17-20-19-16(25-17)10-2-3-10/h4-7,10H,2-3,8H2,1H3,(H,18,20,21).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 357.39 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 2394599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).