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

C15H15N5O2S — CID 977572

IUPAC2-(4-oxoquinazolin-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)Cn2cnc3ccccc3c2=O)s1
InChIInChI=1S/C15H15N5O2S/c1-2-5-13-18-19-15(23-13)17-12(21)8-20-9-16-11-7-4-3-6-10(11)14(20)22/h3-4,6-7,9H,2,5,8H2,1H3,(H,17,19,21)
InChIKeyJWKGJUNGSXUSKQ-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.84
Rot. Bonds5

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

2-(4-oxoquinazolin-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 977572) has the molecular formula C15H15N5O2S and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-(4-oxoquinazolin-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-oxoquinazolin-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID977572
Molecular FormulaC15H15N5O2S
Molecular Weight329.38 g/mol
Exact Mass329.09
IUPAC Name2-(4-oxoquinazolin-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)Cn2cnc3ccccc3c2=O)s1
InChIInChI=1S/C15H15N5O2S/c1-2-5-13-18-19-15(23-13)17-12(21)8-20-9-16-11-7-4-3-6-10(11)14(20)22/h3-4,6-7,9H,2,5,8H2,1H3,(H,17,19,21)
InChIKeyJWKGJUNGSXUSKQ-UHFFFAOYSA-N
XLogP1.84
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (CID 977572) is 2-(4-oxoquinazolin-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-oxoquinazolin-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-oxoquinazolin-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is CCCc1nnc(NC(=O)Cn2cnc3ccccc3c2=O)s1.
What is the InChIKey of 2-(4-oxoquinazolin-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is JWKGJUNGSXUSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-2-5-13-18-19-15(23-13)17-12(21)8-20-9-16-11-7-4-3-6-10(11)14(20)22/h3-4,6-7,9H,2,5,8H2,1H3,(H,17,19,21).
What are the key properties of 2-(4-oxoquinazolin-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-oxoquinazolin-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 329.38 g/mol, XLogP of 1.84, 5 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-propyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 977572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).