N-(3-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C10H11N5O2S — CID 2919184

IUPACN-(3-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1cccc(O)c1
InChIInChI=1S/C10H11N5O2S/c1-15-10(12-13-14-15)18-6-9(17)11-7-3-2-4-8(16)5-7/h2-5,16H,6H2,1H3,(H,11,17)
InChIKeyYXLGNKGCIDGYDO-UHFFFAOYSA-N
MW265.30 g/mol
LogP0.65
Rot. Bonds4

About N-(3-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(3-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 2919184) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID2919184
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC NameN-(3-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1cccc(O)c1
InChIInChI=1S/C10H11N5O2S/c1-15-10(12-13-14-15)18-6-9(17)11-7-3-2-4-8(16)5-7/h2-5,16H,6H2,1H3,(H,11,17)
InChIKeyYXLGNKGCIDGYDO-UHFFFAOYSA-N
XLogP0.65
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(3-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 2919184) is N-(3-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(3-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)Nc1cccc(O)c1.
What is the InChIKey of N-(3-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is YXLGNKGCIDGYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S/c1-15-10(12-13-14-15)18-6-9(17)11-7-3-2-4-8(16)5-7/h2-5,16H,6H2,1H3,(H,11,17).
What are the key properties of N-(3-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(3-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 265.30 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 2919184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).