2-chloro-N'-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]benzohydrazide

C14H11ClN6O2S — CID 2744076

IUPAC2-chloro-N'-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]benzohydrazide
SMILESO=C(Cn1nnc(-c2cccs2)n1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C14H11ClN6O2S/c15-10-5-2-1-4-9(10)14(23)18-16-12(22)8-21-19-13(17-20-21)11-6-3-7-24-11/h1-7H,8H2,(H,16,22)(H,18,23)
InChIKeyFXFQHDNHPAYDQV-UHFFFAOYSA-N
MW362.80 g/mol
LogP1.52
Rot. Bonds4

About 2-chloro-N'-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]benzohydrazide

2-chloro-N'-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]benzohydrazide (PubChem CID 2744076) has the molecular formula C14H11ClN6O2S and a molecular weight of 362.80 g/mol. Its IUPAC name is 2-chloro-N'-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]benzohydrazide
PubChem CID2744076
Molecular FormulaC14H11ClN6O2S
Molecular Weight362.80 g/mol
Exact Mass362.04
IUPAC Name2-chloro-N'-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]benzohydrazide
SMILESO=C(Cn1nnc(-c2cccs2)n1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C14H11ClN6O2S/c15-10-5-2-1-4-9(10)14(23)18-16-12(22)8-21-19-13(17-20-21)11-6-3-7-24-11/h1-7H,8H2,(H,16,22)(H,18,23)
InChIKeyFXFQHDNHPAYDQV-UHFFFAOYSA-N
XLogP1.52
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.80
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid
CID 43354422
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 26245507
3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]propanoic acid
CID 43354761
N-(1H-pyrazol-5-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 61393718
N-(2-ethylphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 646110
N-[(2-chlorophenyl)methyl]-3-(5-thiophen-2-yltetrazol-2-yl)propanamide
CID 655576
N-(cyclopropylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 856765
N-(2,3-dihydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 66175567
N-(6-hydroxyhexyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 107843843
N-(5-hydroxypentyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 107318928
N-(1-hydroxybutan-2-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 43393225
3-methyl-3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanoic acid
CID 64670550

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]benzohydrazide (CID 2744076) is 2-chloro-N'-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]benzohydrazide is O=C(Cn1nnc(-c2cccs2)n1)NNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N'-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]benzohydrazide?
The InChIKey is FXFQHDNHPAYDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN6O2S/c15-10-5-2-1-4-9(10)14(23)18-16-12(22)8-21-19-13(17-20-21)11-6-3-7-24-11/h1-7H,8H2,(H,16,22)(H,18,23).
What are the key properties of 2-chloro-N'-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]benzohydrazide?
2-chloro-N'-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]benzohydrazide has a molecular weight of 362.80 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]benzohydrazide is sourced from PubChem (CID 2744076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).