N'-(3-chloro-4-methylphenyl)thiophene-2-carbohydrazide

C12H11ClN2OS — CID 2811331

IUPACN'-(3-chloro-4-methylphenyl)thiophene-2-carbohydrazide
SMILESCc1ccc(NNC(=O)c2cccs2)cc1Cl
InChIInChI=1S/C12H11ClN2OS/c1-8-4-5-9(7-10(8)13)14-15-12(16)11-3-2-6-17-11/h2-7,14H,1H3,(H,15,16)
InChIKeyQXQIEHRCZXQXLA-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.47
Rot. Bonds3

About N'-(3-chloro-4-methylphenyl)thiophene-2-carbohydrazide

N'-(3-chloro-4-methylphenyl)thiophene-2-carbohydrazide (PubChem CID 2811331) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is N'-(3-chloro-4-methylphenyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chloro-4-methylphenyl)thiophene-2-carbohydrazide
PubChem CID2811331
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC NameN'-(3-chloro-4-methylphenyl)thiophene-2-carbohydrazide
SMILESCc1ccc(NNC(=O)c2cccs2)cc1Cl
InChIInChI=1S/C12H11ClN2OS/c1-8-4-5-9(7-10(8)13)14-15-12(16)11-3-2-6-17-11/h2-7,14H,1H3,(H,15,16)
InChIKeyQXQIEHRCZXQXLA-UHFFFAOYSA-N
XLogP3.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methylphenyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(3-chloro-4-methylphenyl)thiophene-2-carbohydrazide (CID 2811331) is N'-(3-chloro-4-methylphenyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(3-chloro-4-methylphenyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(3-chloro-4-methylphenyl)thiophene-2-carbohydrazide is Cc1ccc(NNC(=O)c2cccs2)cc1Cl.
What is the InChIKey of N'-(3-chloro-4-methylphenyl)thiophene-2-carbohydrazide?
The InChIKey is QXQIEHRCZXQXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-8-4-5-9(7-10(8)13)14-15-12(16)11-3-2-6-17-11/h2-7,14H,1H3,(H,15,16).
What are the key properties of N'-(3-chloro-4-methylphenyl)thiophene-2-carbohydrazide?
N'-(3-chloro-4-methylphenyl)thiophene-2-carbohydrazide has a molecular weight of 266.75 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methylphenyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 2811331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).