2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C13H11N7O3S2 — CID 2175214

IUPAC2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)s1
InChIInChI=1S/C13H11N7O3S2/c1-7-15-16-12(25-7)14-11(21)5-24-13-17-18-19-20(13)8-2-3-9-10(4-8)23-6-22-9/h2-4H,5-6H2,1H3,(H,14,16,21)
InChIKeyZWRYOTXWCOLVED-UHFFFAOYSA-N
MW377.41 g/mol
LogP1.28
Rot. Bonds5

About 2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2175214) has the molecular formula C13H11N7O3S2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2175214
Molecular FormulaC13H11N7O3S2
Molecular Weight377.41 g/mol
Exact Mass377.04
IUPAC Name2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)s1
InChIInChI=1S/C13H11N7O3S2/c1-7-15-16-12(25-7)14-11(21)5-24-13-17-18-19-20(13)8-2-3-9-10(4-8)23-6-22-9/h2-4H,5-6H2,1H3,(H,14,16,21)
InChIKeyZWRYOTXWCOLVED-UHFFFAOYSA-N
XLogP1.28
TPSA116.94 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.41
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-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-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 2175214) is 2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)s1.
What is the InChIKey of 2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is ZWRYOTXWCOLVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7O3S2/c1-7-15-16-12(25-7)14-11(21)5-24-13-17-18-19-20(13)8-2-3-9-10(4-8)23-6-22-9/h2-4H,5-6H2,1H3,(H,14,16,21).
What are the key properties of 2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 377.41 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2175214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).