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

C9H9N5OS — CID 716331

IUPAC2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESNC(=O)CSc1nnnn1-c1ccccc1
InChIInChI=1S/C9H9N5OS/c10-8(15)6-16-9-11-12-13-14(9)7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,15)
InChIKeyAIVNQNXPQBKRAP-UHFFFAOYSA-N
MW235.27 g/mol
LogP0.24
Rot. Bonds4

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

2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 716331) has the molecular formula C9H9N5OS and a molecular weight of 235.27 g/mol. Its IUPAC name is 2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID716331
Molecular FormulaC9H9N5OS
Molecular Weight235.27 g/mol
Exact Mass235.05
IUPAC Name2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESNC(=O)CSc1nnnn1-c1ccccc1
InChIInChI=1S/C9H9N5OS/c10-8(15)6-16-9-11-12-13-14(9)7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,15)
InChIKeyAIVNQNXPQBKRAP-UHFFFAOYSA-N
XLogP0.24
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 716331) is 2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for 2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for 2-(1-phenyltetrazol-5-yl)sulfanylacetamide is NC(=O)CSc1nnnn1-c1ccccc1.
What is the InChIKey of 2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is AIVNQNXPQBKRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5OS/c10-8(15)6-16-9-11-12-13-14(9)7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,15).
What are the key properties of 2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 235.27 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 716331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).