N-benzyl-7-oxo-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide

C19H14N4O2S — CID 3236184

IUPACN-benzyl-7-oxo-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(=O)nc2sc(-c3ccccc3)nn12
InChIInChI=1S/C19H14N4O2S/c24-16-11-15(17(25)20-12-13-7-3-1-4-8-13)23-19(21-16)26-18(22-23)14-9-5-2-6-10-14/h1-11H,12H2,(H,20,25)
InChIKeyWYAHTOGILGNFOI-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.75
Rot. Bonds4

About N-benzyl-7-oxo-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide

N-benzyl-7-oxo-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide (PubChem CID 3236184) has the molecular formula C19H14N4O2S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-benzyl-7-oxo-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-oxo-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
PubChem CID3236184
Molecular FormulaC19H14N4O2S
Molecular Weight362.41 g/mol
Exact Mass362.08
IUPAC NameN-benzyl-7-oxo-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(=O)nc2sc(-c3ccccc3)nn12
InChIInChI=1S/C19H14N4O2S/c24-16-11-15(17(25)20-12-13-7-3-1-4-8-13)23-19(21-16)26-18(22-23)14-9-5-2-6-10-14/h1-11H,12H2,(H,20,25)
InChIKeyWYAHTOGILGNFOI-UHFFFAOYSA-N
XLogP2.75
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-oxo-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-7-oxo-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide (CID 3236184) is N-benzyl-7-oxo-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-7-oxo-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-7-oxo-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide is O=C(NCc1ccccc1)c1cc(=O)nc2sc(-c3ccccc3)nn12.
What is the InChIKey of N-benzyl-7-oxo-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide?
The InChIKey is WYAHTOGILGNFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S/c24-16-11-15(17(25)20-12-13-7-3-1-4-8-13)23-19(21-16)26-18(22-23)14-9-5-2-6-10-14/h1-11H,12H2,(H,20,25).
What are the key properties of N-benzyl-7-oxo-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide?
N-benzyl-7-oxo-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-oxo-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 3236184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).