N-(4-methoxyphenyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]quinazoline-2-carboxamide

C17H12N4O3S — CID 134106873

IUPACN-(4-methoxyphenyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]quinazoline-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nn3c(nc(=O)c4ccccc43)s2)cc1
InChIInChI=1S/C17H12N4O3S/c1-24-11-8-6-10(7-9-11)18-15(23)16-20-21-13-5-3-2-4-12(13)14(22)19-17(21)25-16/h2-9H,1H3,(H,18,23)
InChIKeyOBROOYCAVRUBSV-UHFFFAOYSA-N
MW352.38 g/mol
LogP2.57
Rot. Bonds3

About N-(4-methoxyphenyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]quinazoline-2-carboxamide

N-(4-methoxyphenyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]quinazoline-2-carboxamide (PubChem CID 134106873) has the molecular formula C17H12N4O3S and a molecular weight of 352.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]quinazoline-2-carboxamide
PubChem CID134106873
Molecular FormulaC17H12N4O3S
Molecular Weight352.38 g/mol
Exact Mass352.06
IUPAC NameN-(4-methoxyphenyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]quinazoline-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nn3c(nc(=O)c4ccccc43)s2)cc1
InChIInChI=1S/C17H12N4O3S/c1-24-11-8-6-10(7-9-11)18-15(23)16-20-21-13-5-3-2-4-12(13)14(22)19-17(21)25-16/h2-9H,1H3,(H,18,23)
InChIKeyOBROOYCAVRUBSV-UHFFFAOYSA-N
XLogP2.57
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide
CID 724615
N-(4-methoxyphenyl)-1-oxoisothiochromene-3-carboxamide
CID 17015253
3-hydroxy-N-(4-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 86129650
2-chloro-N-(4-methoxyphenyl)-1-methylindole-3-carboxamide
CID 1477196
N-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide
CID 1179338
3-ethyl-N-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 2540338
N-(4-methoxyphenyl)anthracene-9-carboxamide
CID 86045651
N-(4-methoxyphenyl)-4-oxo-1-pentylquinoline-3-carboxamide
CID 11523434
N-(4-methoxyphenyl)-2-(5-oxotriazolo[1,5-a]quinazolin-4-yl)acetamide
CID 126458404
N-(4-methoxyphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
CID 1087197
N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 821516
N-(4-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767797

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]quinazoline-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]quinazoline-2-carboxamide (CID 134106873) is N-(4-methoxyphenyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]quinazoline-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]quinazoline-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]quinazoline-2-carboxamide is COc1ccc(NC(=O)c2nn3c(nc(=O)c4ccccc43)s2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]quinazoline-2-carboxamide?
The InChIKey is OBROOYCAVRUBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3S/c1-24-11-8-6-10(7-9-11)18-15(23)16-20-21-13-5-3-2-4-12(13)14(22)19-17(21)25-16/h2-9H,1H3,(H,18,23).
What are the key properties of N-(4-methoxyphenyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]quinazoline-2-carboxamide?
N-(4-methoxyphenyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]quinazoline-2-carboxamide has a molecular weight of 352.38 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]quinazoline-2-carboxamide is sourced from PubChem (CID 134106873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).