2-(1-benzyltetrazol-5-yl)sulfanylacetamide

C10H11N5OS — CID 893684

IUPAC2-(1-benzyltetrazol-5-yl)sulfanylacetamide
SMILESNC(=O)CSc1nnnn1Cc1ccccc1
InChIInChI=1S/C10H11N5OS/c11-9(16)7-17-10-12-13-14-15(10)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,16)
InChIKeyDROKWCSVFQLFKV-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.30
Rot. Bonds5

About 2-(1-benzyltetrazol-5-yl)sulfanylacetamide

2-(1-benzyltetrazol-5-yl)sulfanylacetamide (PubChem CID 893684) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-(1-benzyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(1-benzyltetrazol-5-yl)sulfanylacetamide
PubChem CID893684
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC Name2-(1-benzyltetrazol-5-yl)sulfanylacetamide
SMILESNC(=O)CSc1nnnn1Cc1ccccc1
InChIInChI=1S/C10H11N5OS/c11-9(16)7-17-10-12-13-14-15(10)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,16)
InChIKeyDROKWCSVFQLFKV-UHFFFAOYSA-N
XLogP0.30
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanylacetamide (CID 893684) is 2-(1-benzyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for 2-(1-benzyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for 2-(1-benzyltetrazol-5-yl)sulfanylacetamide is NC(=O)CSc1nnnn1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is DROKWCSVFQLFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c11-9(16)7-17-10-12-13-14-15(10)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,16).
What are the key properties of 2-(1-benzyltetrazol-5-yl)sulfanylacetamide?
2-(1-benzyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 249.30 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 893684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).