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

C14H11N7OS — CID 8685074

IUPAC7-methyl-2-[(5-phenyltetrazol-2-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(Cn3nnc(-c4ccccc4)n3)sc2n1
InChIInChI=1S/C14H11N7OS/c1-9-7-12(22)21-14(15-9)23-11(17-21)8-20-18-13(16-19-20)10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyACMGNLRIXGDSTE-UHFFFAOYSA-N
MW325.36 g/mol
LogP1.16
Rot. Bonds3

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

7-methyl-2-[(5-phenyltetrazol-2-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 8685074) has the molecular formula C14H11N7OS and a molecular weight of 325.36 g/mol. Its IUPAC name is 7-methyl-2-[(5-phenyltetrazol-2-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-2-[(5-phenyltetrazol-2-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID8685074
Molecular FormulaC14H11N7OS
Molecular Weight325.36 g/mol
Exact Mass325.07
IUPAC Name7-methyl-2-[(5-phenyltetrazol-2-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(Cn3nnc(-c4ccccc4)n3)sc2n1
InChIInChI=1S/C14H11N7OS/c1-9-7-12(22)21-14(15-9)23-11(17-21)8-20-18-13(16-19-20)10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyACMGNLRIXGDSTE-UHFFFAOYSA-N
XLogP1.16
TPSA90.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 7-methyl-2-[(5-phenyltetrazol-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

2-methyl-7-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 46486436
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 42885922
2-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)acetic acid;hydrochloride
CID 75539412
2-(azocan-1-ylmethyl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 9460630
2-methylsulfanyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,3,4-thiadiazole
CID 47772330
2-[1-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]azetidin-3-yl]acetic acid
CID 64618674
2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 8872410
7-methyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 24506874
2-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 80703526
5-[(5-phenyltetrazol-2-yl)methyl]thiophen-2-amine
CID 124530595
2-[[[(1S)-1,2-diphenylethyl]amino]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 51644842
2-[(3-hydroxypyrrolidin-1-yl)methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 62917529

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(5-phenyltetrazol-2-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-2-[(5-phenyltetrazol-2-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 8685074) is 7-methyl-2-[(5-phenyltetrazol-2-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-2-[(5-phenyltetrazol-2-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-2-[(5-phenyltetrazol-2-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2nc(Cn3nnc(-c4ccccc4)n3)sc2n1.
What is the InChIKey of 7-methyl-2-[(5-phenyltetrazol-2-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ACMGNLRIXGDSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7OS/c1-9-7-12(22)21-14(15-9)23-11(17-21)8-20-18-13(16-19-20)10-5-3-2-4-6-10/h2-7H,8H2,1H3.
What are the key properties of 7-methyl-2-[(5-phenyltetrazol-2-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-methyl-2-[(5-phenyltetrazol-2-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 325.36 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(5-phenyltetrazol-2-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 8685074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).