N'-(3,5-dichlorobenzoyl)-4-methylthiophene-2-carbohydrazide

C13H10Cl2N2O2S — CID 2808322

IUPACN'-(3,5-dichlorobenzoyl)-4-methylthiophene-2-carbohydrazide
SMILESCc1csc(C(=O)NNC(=O)c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C13H10Cl2N2O2S/c1-7-2-11(20-6-7)13(19)17-16-12(18)8-3-9(14)5-10(15)4-8/h2-6H,1H3,(H,16,18)(H,17,19)
InChIKeyDEIGAAPANUSBBO-UHFFFAOYSA-N
MW329.21 g/mol
LogP3.44
Rot. Bonds2

About N'-(3,5-dichlorobenzoyl)-4-methylthiophene-2-carbohydrazide

N'-(3,5-dichlorobenzoyl)-4-methylthiophene-2-carbohydrazide (PubChem CID 2808322) has the molecular formula C13H10Cl2N2O2S and a molecular weight of 329.21 g/mol. Its IUPAC name is N'-(3,5-dichlorobenzoyl)-4-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3,5-dichlorobenzoyl)-4-methylthiophene-2-carbohydrazide
PubChem CID2808322
Molecular FormulaC13H10Cl2N2O2S
Molecular Weight329.21 g/mol
Exact Mass327.98
IUPAC NameN'-(3,5-dichlorobenzoyl)-4-methylthiophene-2-carbohydrazide
SMILESCc1csc(C(=O)NNC(=O)c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C13H10Cl2N2O2S/c1-7-2-11(20-6-7)13(19)17-16-12(18)8-3-9(14)5-10(15)4-8/h2-6H,1H3,(H,16,18)(H,17,19)
InChIKeyDEIGAAPANUSBBO-UHFFFAOYSA-N
XLogP3.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 53.44
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'-(3,5-dichlorobenzoyl)-4-methylthiophene-2-carbohydrazide?
The IUPAC name of N'-(3,5-dichlorobenzoyl)-4-methylthiophene-2-carbohydrazide (CID 2808322) is N'-(3,5-dichlorobenzoyl)-4-methylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-(3,5-dichlorobenzoyl)-4-methylthiophene-2-carbohydrazide?
The canonical SMILES for N'-(3,5-dichlorobenzoyl)-4-methylthiophene-2-carbohydrazide is Cc1csc(C(=O)NNC(=O)c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of N'-(3,5-dichlorobenzoyl)-4-methylthiophene-2-carbohydrazide?
The InChIKey is DEIGAAPANUSBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2S/c1-7-2-11(20-6-7)13(19)17-16-12(18)8-3-9(14)5-10(15)4-8/h2-6H,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-(3,5-dichlorobenzoyl)-4-methylthiophene-2-carbohydrazide?
N'-(3,5-dichlorobenzoyl)-4-methylthiophene-2-carbohydrazide has a molecular weight of 329.21 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dichlorobenzoyl)-4-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 2808322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).