N'-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-4-methoxybenzohydrazide

C13H16N6O3S — CID 864277

IUPACN'-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-4-methoxybenzohydrazide
SMILESCCn1nnnc1SCC(=O)NNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H16N6O3S/c1-3-19-13(16-17-18-19)23-8-11(20)14-15-12(21)9-4-6-10(22-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,14,20)(H,15,21)
InChIKeyAZECSXPCYVZGCP-UHFFFAOYSA-N
MW336.38 g/mol
LogP0.25
Rot. Bonds6

About N'-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-4-methoxybenzohydrazide

N'-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-4-methoxybenzohydrazide (PubChem CID 864277) has the molecular formula C13H16N6O3S and a molecular weight of 336.38 g/mol. Its IUPAC name is N'-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-4-methoxybenzohydrazide
PubChem CID864277
Molecular FormulaC13H16N6O3S
Molecular Weight336.38 g/mol
Exact Mass336.10
IUPAC NameN'-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-4-methoxybenzohydrazide
SMILESCCn1nnnc1SCC(=O)NNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H16N6O3S/c1-3-19-13(16-17-18-19)23-8-11(20)14-15-12(21)9-4-6-10(22-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,14,20)(H,15,21)
InChIKeyAZECSXPCYVZGCP-UHFFFAOYSA-N
XLogP0.25
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N'-[2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetyl]benzohydrazide
CID 26387767
N'-[2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-methoxybenzohydrazide
CID 997249
2-[1-(2-methoxyethyl)tetrazol-5-yl]sulfanyl-1-(4-methoxyphenyl)ethanone
CID 3212975
4-methoxy-N'-[2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide
CID 3144957
2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 864272
4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide
CID 26649394
4-ethyl-N'-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide
CID 9020841
1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide
CID 3140699
N-(4-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 1239751
4-methoxy-N'-[2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide
CID 1147220
4-chloro-N'-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetyl]benzohydrazide
CID 46639713
N-benzyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 864271

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-4-methoxybenzohydrazide?
The IUPAC name of N'-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-4-methoxybenzohydrazide (CID 864277) is N'-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-4-methoxybenzohydrazide.
What is the SMILES notation for N'-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-4-methoxybenzohydrazide?
The canonical SMILES for N'-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-4-methoxybenzohydrazide is CCn1nnnc1SCC(=O)NNC(=O)c1ccc(OC)cc1.
What is the InChIKey of N'-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-4-methoxybenzohydrazide?
The InChIKey is AZECSXPCYVZGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O3S/c1-3-19-13(16-17-18-19)23-8-11(20)14-15-12(21)9-4-6-10(22-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,14,20)(H,15,21).
What are the key properties of N'-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-4-methoxybenzohydrazide?
N'-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-4-methoxybenzohydrazide has a molecular weight of 336.38 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-4-methoxybenzohydrazide is sourced from PubChem (CID 864277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).