N'-[2-(4-chlorophenoxy)acetyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetohydrazide

C15H13ClN6O3S — CID 9128168

IUPACN'-[2-(4-chlorophenoxy)acetyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetohydrazide
SMILESO=C(COc1ccc(Cl)cc1)NNC(=O)Cn1nnc(-c2ccsc2)n1
InChIInChI=1S/C15H13ClN6O3S/c16-11-1-3-12(4-2-11)25-8-14(24)18-17-13(23)7-22-20-15(19-21-22)10-5-6-26-9-10/h1-6,9H,7-8H2,(H,17,23)(H,18,24)
InChIKeyKURQDRIGHPOJKT-UHFFFAOYSA-N
MW392.83 g/mol
LogP1.28
Rot. Bonds6

About N'-[2-(4-chlorophenoxy)acetyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetohydrazide

N'-[2-(4-chlorophenoxy)acetyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetohydrazide (PubChem CID 9128168) has the molecular formula C15H13ClN6O3S and a molecular weight of 392.83 g/mol. Its IUPAC name is N'-[2-(4-chlorophenoxy)acetyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenoxy)acetyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetohydrazide
PubChem CID9128168
Molecular FormulaC15H13ClN6O3S
Molecular Weight392.83 g/mol
Exact Mass392.05
IUPAC NameN'-[2-(4-chlorophenoxy)acetyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetohydrazide
SMILESO=C(COc1ccc(Cl)cc1)NNC(=O)Cn1nnc(-c2ccsc2)n1
InChIInChI=1S/C15H13ClN6O3S/c16-11-1-3-12(4-2-11)25-8-14(24)18-17-13(23)7-22-20-15(19-21-22)10-5-6-26-9-10/h1-6,9H,7-8H2,(H,17,23)(H,18,24)
InChIKeyKURQDRIGHPOJKT-UHFFFAOYSA-N
XLogP1.28
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.83
LogP ≤ 51.28
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

N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 60709492
2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]oxyacetic acid
CID 63912512
N-(2-hydroxyethyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 43416200
N-(4-phenoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128090
2-(5-thiophen-3-yltetrazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 61216097
N-(2,4-dimethoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128117
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677562
methyl 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzoate
CID 9128050
N-[1-(hydroxymethyl)cyclobutyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 115878438
N-(3-chloro-4-methylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9127998
N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128298
N-(5-hydroxypentyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 107318628

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenoxy)acetyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetohydrazide?
The IUPAC name of N'-[2-(4-chlorophenoxy)acetyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetohydrazide (CID 9128168) is N'-[2-(4-chlorophenoxy)acetyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenoxy)acetyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenoxy)acetyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetohydrazide is O=C(COc1ccc(Cl)cc1)NNC(=O)Cn1nnc(-c2ccsc2)n1.
What is the InChIKey of N'-[2-(4-chlorophenoxy)acetyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetohydrazide?
The InChIKey is KURQDRIGHPOJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN6O3S/c16-11-1-3-12(4-2-11)25-8-14(24)18-17-13(23)7-22-20-15(19-21-22)10-5-6-26-9-10/h1-6,9H,7-8H2,(H,17,23)(H,18,24).
What are the key properties of N'-[2-(4-chlorophenoxy)acetyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetohydrazide?
N'-[2-(4-chlorophenoxy)acetyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetohydrazide has a molecular weight of 392.83 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenoxy)acetyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetohydrazide is sourced from PubChem (CID 9128168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).