2-methyl-7-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C15H13N7OS — CID 46486436

IUPAC2-methyl-7-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1ccc(-c2nnn(Cc3cc(=O)n4nc(C)sc4n3)n2)cc1
InChIInChI=1S/C15H13N7OS/c1-9-3-5-11(6-4-9)14-17-20-21(19-14)8-12-7-13(23)22-15(16-12)24-10(2)18-22/h3-7H,8H2,1-2H3
InChIKeyQXVLKLJGVAYBKN-UHFFFAOYSA-N
MW339.38 g/mol
LogP1.47
Rot. Bonds3

About 2-methyl-7-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-methyl-7-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 46486436) has the molecular formula C15H13N7OS and a molecular weight of 339.38 g/mol. Its IUPAC name is 2-methyl-7-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-methyl-7-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID46486436
Molecular FormulaC15H13N7OS
Molecular Weight339.38 g/mol
Exact Mass339.09
IUPAC Name2-methyl-7-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1ccc(-c2nnn(Cc3cc(=O)n4nc(C)sc4n3)n2)cc1
InChIInChI=1S/C15H13N7OS/c1-9-3-5-11(6-4-9)14-17-20-21(19-14)8-12-7-13(23)22-15(16-12)24-10(2)18-22/h3-7H,8H2,1-2H3
InChIKeyQXVLKLJGVAYBKN-UHFFFAOYSA-N
XLogP1.47
TPSA90.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-methyl-7-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one 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-methyl-2-[(5-phenyltetrazol-2-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 8685074
7-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46675170
2-methyl-7-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 46482475
2-methyl-7-[(N,2,5-trimethylanilino)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 47060072
(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl benzoate
CID 20946285
7-[[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 55737501
7-[(4-benzoylpiperidin-1-yl)methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 55829270
(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-bromobenzoate
CID 20946318
(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpropanoate
CID 20946290
2-methyl-7-[[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 47046516
2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
CID 701825
2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7465674

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-methyl-7-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 46486436) is 2-methyl-7-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-methyl-7-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-methyl-7-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1ccc(-c2nnn(Cc3cc(=O)n4nc(C)sc4n3)n2)cc1.
What is the InChIKey of 2-methyl-7-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is QXVLKLJGVAYBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7OS/c1-9-3-5-11(6-4-9)14-17-20-21(19-14)8-12-7-13(23)22-15(16-12)24-10(2)18-22/h3-7H,8H2,1-2H3.
What are the key properties of 2-methyl-7-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-methyl-7-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 339.38 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 46486436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).