2-(4-oxoquinazolin-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide

C17H19N5O2S — CID 4882048

IUPAC2-(4-oxoquinazolin-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCCc1nnc(NC(=O)Cn2cnc3ccccc3c2=O)s1
InChIInChI=1S/C17H19N5O2S/c1-2-3-4-9-15-20-21-17(25-15)19-14(23)10-22-11-18-13-8-6-5-7-12(13)16(22)24/h5-8,11H,2-4,9-10H2,1H3,(H,19,21,23)
InChIKeyYYBLWHVEYGGCRC-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.62
Rot. Bonds7

About 2-(4-oxoquinazolin-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide

2-(4-oxoquinazolin-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 4882048) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-(4-oxoquinazolin-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-oxoquinazolin-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID4882048
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name2-(4-oxoquinazolin-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCCc1nnc(NC(=O)Cn2cnc3ccccc3c2=O)s1
InChIInChI=1S/C17H19N5O2S/c1-2-3-4-9-15-20-21-17(25-15)19-14(23)10-22-11-18-13-8-6-5-7-12(13)16(22)24/h5-8,11H,2-4,9-10H2,1H3,(H,19,21,23)
InChIKeyYYBLWHVEYGGCRC-UHFFFAOYSA-N
XLogP2.62
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide (CID 4882048) is 2-(4-oxoquinazolin-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-oxoquinazolin-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-oxoquinazolin-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide is CCCCCc1nnc(NC(=O)Cn2cnc3ccccc3c2=O)s1.
What is the InChIKey of 2-(4-oxoquinazolin-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is YYBLWHVEYGGCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-2-3-4-9-15-20-21-17(25-15)19-14(23)10-22-11-18-13-8-6-5-7-12(13)16(22)24/h5-8,11H,2-4,9-10H2,1H3,(H,19,21,23).
What are the key properties of 2-(4-oxoquinazolin-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-oxoquinazolin-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoquinazolin-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 4882048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).