2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyltetrazol-5-yl)acetamide

C12H13N9O2S — CID 2024579

IUPAC2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyltetrazol-5-yl)acetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)Nc2nnn(C)n2)cc1
InChIInChI=1S/C12H13N9O2S/c1-20-16-11(14-18-20)13-10(22)7-24-12-15-17-19-21(12)8-3-5-9(23-2)6-4-8/h3-6H,7H2,1-2H3,(H,13,16,22)
InChIKeyFQGWZWCIVFUUNY-UHFFFAOYSA-N
MW347.36 g/mol
LogP-0.07
Rot. Bonds6

About 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyltetrazol-5-yl)acetamide

2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyltetrazol-5-yl)acetamide (PubChem CID 2024579) has the molecular formula C12H13N9O2S and a molecular weight of 347.36 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyltetrazol-5-yl)acetamide
PubChem CID2024579
Molecular FormulaC12H13N9O2S
Molecular Weight347.36 g/mol
Exact Mass347.09
IUPAC Name2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyltetrazol-5-yl)acetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)Nc2nnn(C)n2)cc1
InChIInChI=1S/C12H13N9O2S/c1-20-16-11(14-18-20)13-10(22)7-24-12-15-17-19-21(12)8-3-5-9(23-2)6-4-8/h3-6H,7H2,1-2H3,(H,13,16,22)
InChIKeyFQGWZWCIVFUUNY-UHFFFAOYSA-N
XLogP-0.07
TPSA125.53 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.36
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyltetrazol-5-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyltetrazol-5-yl)acetamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyltetrazol-5-yl)acetamide (CID 2024579) is 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyltetrazol-5-yl)acetamide is COc1ccc(-n2nnnc2SCC(=O)Nc2nnn(C)n2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyltetrazol-5-yl)acetamide?
The InChIKey is FQGWZWCIVFUUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N9O2S/c1-20-16-11(14-18-20)13-10(22)7-24-12-15-17-19-21(12)8-3-5-9(23-2)6-4-8/h3-6H,7H2,1-2H3,(H,13,16,22).
What are the key properties of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyltetrazol-5-yl)acetamide?
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyltetrazol-5-yl)acetamide has a molecular weight of 347.36 g/mol, XLogP of -0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyltetrazol-5-yl)acetamide is sourced from PubChem (CID 2024579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).