2-(1-benzyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C13H13N7OS2 — CID 2222135

IUPAC2-(1-benzyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CSc2nnnn2Cc2ccccc2)s1
InChIInChI=1S/C13H13N7OS2/c1-9-15-16-12(23-9)14-11(21)8-22-13-17-18-19-20(13)7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,14,16,21)
InChIKeyQBPMNQIQGWXRBN-UHFFFAOYSA-N
MW347.43 g/mol
LogP1.61
Rot. Bonds6

About 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-(1-benzyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2222135) has the molecular formula C13H13N7OS2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2222135
Molecular FormulaC13H13N7OS2
Molecular Weight347.43 g/mol
Exact Mass347.06
IUPAC Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CSc2nnnn2Cc2ccccc2)s1
InChIInChI=1S/C13H13N7OS2/c1-9-15-16-12(23-9)14-11(21)8-22-13-17-18-19-20(13)7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,14,16,21)
InChIKeyQBPMNQIQGWXRBN-UHFFFAOYSA-N
XLogP1.61
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 2222135) is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(NC(=O)CSc2nnnn2Cc2ccccc2)s1.
What is the InChIKey of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is QBPMNQIQGWXRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7OS2/c1-9-15-16-12(23-9)14-11(21)8-22-13-17-18-19-20(13)7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,14,16,21).
What are the key properties of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 347.43 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2222135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).