2-(1-phenyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide

C14H12N6OS — CID 578136

IUPAC2-(1-phenyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1ccccn1
InChIInChI=1S/C14H12N6OS/c21-13(16-12-8-4-5-9-15-12)10-22-14-17-18-19-20(14)11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16,21)
InChIKeyBGLSDVVHSXPOQW-UHFFFAOYSA-N
MW312.36 g/mol
LogP1.79
Rot. Bonds5

About 2-(1-phenyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide

2-(1-phenyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide (PubChem CID 578136) has the molecular formula C14H12N6OS and a molecular weight of 312.36 g/mol. Its IUPAC name is 2-(1-phenyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(1-phenyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide
PubChem CID578136
Molecular FormulaC14H12N6OS
Molecular Weight312.36 g/mol
Exact Mass312.08
IUPAC Name2-(1-phenyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1ccccn1
InChIInChI=1S/C14H12N6OS/c21-13(16-12-8-4-5-9-15-12)10-22-14-17-18-19-20(14)11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16,21)
InChIKeyBGLSDVVHSXPOQW-UHFFFAOYSA-N
XLogP1.79
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155
N-(4-tert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 982894
N-(2,6-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 705223
N-(4,6-dimethylpyrimidin-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 888613
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide
CID 31821740
N-(4-ethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 555650
potassium 2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate
CID 44889777
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2125863
S-(1-phenyltetrazol-5-yl) 2-(1-phenyltetrazol-5-yl)sulfanylethanethioate
CID 3359421
2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide
CID 853335
N,N-diethyl-4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 7762487
N-(2-fluoro-5-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2950071

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide (CID 578136) is 2-(1-phenyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide is O=C(CSc1nnnn1-c1ccccc1)Nc1ccccn1.
What is the InChIKey of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide?
The InChIKey is BGLSDVVHSXPOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6OS/c21-13(16-12-8-4-5-9-15-12)10-22-14-17-18-19-20(14)11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16,21).
What are the key properties of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide?
2-(1-phenyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide has a molecular weight of 312.36 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide is sourced from PubChem (CID 578136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).