N'-(3-chlorobenzoyl)-5-methylthiophene-2-carbohydrazide

C13H11ClN2O2S — CID 27604628

IUPACN'-(3-chlorobenzoyl)-5-methylthiophene-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)s1
InChIInChI=1S/C13H11ClN2O2S/c1-8-5-6-11(19-8)13(18)16-15-12(17)9-3-2-4-10(14)7-9/h2-7H,1H3,(H,15,17)(H,16,18)
InChIKeyGKANWHMLOTVJFZ-UHFFFAOYSA-N
MW294.76 g/mol
LogP2.78
Rot. Bonds2

About N'-(3-chlorobenzoyl)-5-methylthiophene-2-carbohydrazide

N'-(3-chlorobenzoyl)-5-methylthiophene-2-carbohydrazide (PubChem CID 27604628) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is N'-(3-chlorobenzoyl)-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chlorobenzoyl)-5-methylthiophene-2-carbohydrazide
PubChem CID27604628
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC NameN'-(3-chlorobenzoyl)-5-methylthiophene-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)s1
InChIInChI=1S/C13H11ClN2O2S/c1-8-5-6-11(19-8)13(18)16-15-12(17)9-3-2-4-10(14)7-9/h2-7H,1H3,(H,15,17)(H,16,18)
InChIKeyGKANWHMLOTVJFZ-UHFFFAOYSA-N
XLogP2.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(3-chlorobenzoyl)-5-methylthiophene-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-benzoyl-5-methylthiophene-2-carbohydrazide
CID 4808936
N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide
CID 4810608
N,N-dimethyl-3-[[(5-methylthiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 17463497
N'-[1-(3-chlorophenyl)cyclopentanecarbonyl]-5-methylthiophene-2-carbohydrazide
CID 56799159
N'-(3-chlorobenzoyl)-3,4-dimethylbenzohydrazide
CID 7918365
ethyl N-[(3-chlorobenzoyl)amino]carbamate
CID 7979102
N'-(3-chlorobenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide
CID 9086688
3-chloro-N'-[(2R)-2-chloropropanoyl]benzohydrazide
CID 25323385
N'-[2-(4-chlorophenyl)acetyl]-5-methylthiophene-2-carbohydrazide
CID 36855608
N'-(3-chlorobenzoyl)-2,4-dimethylbenzohydrazide
CID 7601300
N'-tert-butyl-3-chlorobenzohydrazide
CID 15617772
1-[(3-chlorobenzoyl)amino]-3-ethylthiourea
CID 4029166

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorobenzoyl)-5-methylthiophene-2-carbohydrazide?
The IUPAC name of N'-(3-chlorobenzoyl)-5-methylthiophene-2-carbohydrazide (CID 27604628) is N'-(3-chlorobenzoyl)-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-(3-chlorobenzoyl)-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for N'-(3-chlorobenzoyl)-5-methylthiophene-2-carbohydrazide is Cc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)s1.
What is the InChIKey of N'-(3-chlorobenzoyl)-5-methylthiophene-2-carbohydrazide?
The InChIKey is GKANWHMLOTVJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2S/c1-8-5-6-11(19-8)13(18)16-15-12(17)9-3-2-4-10(14)7-9/h2-7H,1H3,(H,15,17)(H,16,18).
What are the key properties of N'-(3-chlorobenzoyl)-5-methylthiophene-2-carbohydrazide?
N'-(3-chlorobenzoyl)-5-methylthiophene-2-carbohydrazide has a molecular weight of 294.76 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorobenzoyl)-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 27604628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).