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

C18H19N3O4S — CID 2518713

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCCCCc1nnc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)s1
InChIInChI=1S/C18H19N3O4S/c1-3-4-5-16-20-21-18(26-16)19-15(22)10-24-12-6-7-13-11(2)8-17(23)25-14(13)9-12/h6-9H,3-5,10H2,1-2H3,(H,19,21,22)
InChIKeyFAZUDZBBSSZNOU-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.31
Rot. Bonds7

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

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 2518713) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID2518713
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCCCCc1nnc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)s1
InChIInChI=1S/C18H19N3O4S/c1-3-4-5-16-20-21-18(26-16)19-15(22)10-24-12-6-7-13-11(2)8-17(23)25-14(13)9-12/h6-9H,3-5,10H2,1-2H3,(H,19,21,22)
InChIKeyFAZUDZBBSSZNOU-UHFFFAOYSA-N
XLogP3.31
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 2518713) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is CCCCc1nnc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is FAZUDZBBSSZNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-3-4-5-16-20-21-18(26-16)19-15(22)10-24-12-6-7-13-11(2)8-17(23)25-14(13)9-12/h6-9H,3-5,10H2,1-2H3,(H,19,21,22).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 373.43 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 2518713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).