5,7-diphenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide

C17H14N4O2S2 — CID 54768361

IUPAC5,7-diphenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide
SMILESNS(=O)(=O)C1=NN2C(=NC(c3ccccc3)=CC2c2ccccc2)S1
InChIInChI=1S/C17H14N4O2S2/c18-25(22,23)17-20-21-15(13-9-5-2-6-10-13)11-14(19-16(21)24-17)12-7-3-1-4-8-12/h1-11,15H,(H2,18,22,23)
InChIKeyMOVBNFNWGXATCA-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.75
Rot. Bonds2

About 5,7-diphenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide

5,7-diphenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide (PubChem CID 54768361) has the molecular formula C17H14N4O2S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 5,7-diphenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound Name5,7-diphenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide
PubChem CID54768361
Molecular FormulaC17H14N4O2S2
Molecular Weight370.46 g/mol
Exact Mass370.06
IUPAC Name5,7-diphenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide
SMILESNS(=O)(=O)C1=NN2C(=NC(c3ccccc3)=CC2c2ccccc2)S1
InChIInChI=1S/C17H14N4O2S2/c18-25(22,23)17-20-21-15(13-9-5-2-6-10-13)11-14(19-16(21)24-17)12-7-3-1-4-8-12/h1-11,15H,(H2,18,22,23)
InChIKeyMOVBNFNWGXATCA-UHFFFAOYSA-N
XLogP2.75
TPSA88.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,7-diphenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(4-methylphenyl)-5-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine
CID 139221952
2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-4,6-diphenyl-4H-pyrimidine
CID 102126195
5-(4-chlorophenyl)-7-phenyl-2-[(E)-3-phenylprop-2-enylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 23832585
2-amino-6-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5,7-dione
CID 79501919
azulene;sulfamide
CID 159505457
5-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 23745561
5-(3,4-dimethoxyphenyl)-3-dimethoxyphosphoryl-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine;hydrochloride
CID 172645872
2-methylsulfonyl-3,5-diphenyl-3,4-dihydropyrazole
CID 2953116
6-[4-(4-fluorophenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
CID 70891832
6-(4-chlorophenyl)-4-phenyl-3-propan-2-yl-4H-triazine
CID 134916139
5-(4-chlorophenyl)-2-[(4-methylphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 23944728
5-(3-methyl-4,6-diphenyl-4H-pyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole
CID 118004827

Frequently Asked Questions

What is the IUPAC name of 5,7-diphenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide?
The IUPAC name of 5,7-diphenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide (CID 54768361) is 5,7-diphenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for 5,7-diphenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide?
The canonical SMILES for 5,7-diphenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide is NS(=O)(=O)C1=NN2C(=NC(c3ccccc3)=CC2c2ccccc2)S1.
What is the InChIKey of 5,7-diphenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide?
The InChIKey is MOVBNFNWGXATCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S2/c18-25(22,23)17-20-21-15(13-9-5-2-6-10-13)11-14(19-16(21)24-17)12-7-3-1-4-8-12/h1-11,15H,(H2,18,22,23).
What are the key properties of 5,7-diphenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide?
5,7-diphenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide has a molecular weight of 370.46 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diphenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 54768361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).