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

C17H17N3O4S — CID 1194279

IUPAC2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3nnc(C(C)C)s3)ccc12
InChIInChI=1S/C17H17N3O4S/c1-9(2)16-19-20-17(25-16)18-14(21)8-23-11-4-5-12-10(3)6-15(22)24-13(12)7-11/h4-7,9H,8H2,1-3H3,(H,18,20,21)
InChIKeySLYGXKIQTSSLCA-UHFFFAOYSA-N
MW359.41 g/mol
LogP3.09
Rot. Bonds5

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

2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 1194279) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID1194279
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3nnc(C(C)C)s3)ccc12
InChIInChI=1S/C17H17N3O4S/c1-9(2)16-19-20-17(25-16)18-14(21)8-23-11-4-5-12-10(3)6-15(22)24-13(12)7-11/h4-7,9H,8H2,1-3H3,(H,18,20,21)
InChIKeySLYGXKIQTSSLCA-UHFFFAOYSA-N
XLogP3.09
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 53.09
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 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 1194279) is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is Cc1cc(=O)oc2cc(OCC(=O)Nc3nnc(C(C)C)s3)ccc12.
What is the InChIKey of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is SLYGXKIQTSSLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-9(2)16-19-20-17(25-16)18-14(21)8-23-11-4-5-12-10(3)6-15(22)24-13(12)7-11/h4-7,9H,8H2,1-3H3,(H,18,20,21).
What are the key properties of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 359.41 g/mol, XLogP of 3.09, 5 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-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 1194279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).