4-(4-oxoquinazolin-3-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide

C17H11N5O2S — CID 29369967

IUPAC4-(4-oxoquinazolin-3-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1ccc(-n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C17H11N5O2S/c23-15(20-17-21-19-10-25-17)11-5-7-12(8-6-11)22-9-18-14-4-2-1-3-13(14)16(22)24/h1-10H,(H,20,21,23)
InChIKeyVPJHNBIVJAFSQJ-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.49
Rot. Bonds3

About 4-(4-oxoquinazolin-3-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide

4-(4-oxoquinazolin-3-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 29369967) has the molecular formula C17H11N5O2S and a molecular weight of 349.38 g/mol. Its IUPAC name is 4-(4-oxoquinazolin-3-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(4-oxoquinazolin-3-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID29369967
Molecular FormulaC17H11N5O2S
Molecular Weight349.38 g/mol
Exact Mass349.06
IUPAC Name4-(4-oxoquinazolin-3-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1ccc(-n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C17H11N5O2S/c23-15(20-17-21-19-10-25-17)11-5-7-12(8-6-11)22-9-18-14-4-2-1-3-13(14)16(22)24/h1-10H,(H,20,21,23)
InChIKeyVPJHNBIVJAFSQJ-UHFFFAOYSA-N
XLogP2.49
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-oxoquinazolin-3-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-(4-oxoquinazolin-3-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 29369967) is 4-(4-oxoquinazolin-3-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(4-oxoquinazolin-3-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-(4-oxoquinazolin-3-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nncs1)c1ccc(-n2cnc3ccccc3c2=O)cc1.
What is the InChIKey of 4-(4-oxoquinazolin-3-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is VPJHNBIVJAFSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5O2S/c23-15(20-17-21-19-10-25-17)11-5-7-12(8-6-11)22-9-18-14-4-2-1-3-13(14)16(22)24/h1-10H,(H,20,21,23).
What are the key properties of 4-(4-oxoquinazolin-3-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
4-(4-oxoquinazolin-3-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 349.38 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxoquinazolin-3-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 29369967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).