N'-[2-(2,6-dichlorophenyl)acetyl]thiophene-2-carbohydrazide

C13H10Cl2N2O2S — CID 7600829

IUPACN'-[2-(2,6-dichlorophenyl)acetyl]thiophene-2-carbohydrazide
SMILESO=C(Cc1c(Cl)cccc1Cl)NNC(=O)c1cccs1
InChIInChI=1S/C13H10Cl2N2O2S/c14-9-3-1-4-10(15)8(9)7-12(18)16-17-13(19)11-5-2-6-20-11/h1-6H,7H2,(H,16,18)(H,17,19)
InChIKeySVQSAYRKNIGWQL-UHFFFAOYSA-N
MW329.21 g/mol
LogP3.06
Rot. Bonds3

About N'-[2-(2,6-dichlorophenyl)acetyl]thiophene-2-carbohydrazide

N'-[2-(2,6-dichlorophenyl)acetyl]thiophene-2-carbohydrazide (PubChem CID 7600829) has the molecular formula C13H10Cl2N2O2S and a molecular weight of 329.21 g/mol. Its IUPAC name is N'-[2-(2,6-dichlorophenyl)acetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,6-dichlorophenyl)acetyl]thiophene-2-carbohydrazide
PubChem CID7600829
Molecular FormulaC13H10Cl2N2O2S
Molecular Weight329.21 g/mol
Exact Mass327.98
IUPAC NameN'-[2-(2,6-dichlorophenyl)acetyl]thiophene-2-carbohydrazide
SMILESO=C(Cc1c(Cl)cccc1Cl)NNC(=O)c1cccs1
InChIInChI=1S/C13H10Cl2N2O2S/c14-9-3-1-4-10(15)8(9)7-12(18)16-17-13(19)11-5-2-6-20-11/h1-6H,7H2,(H,16,18)(H,17,19)
InChIKeySVQSAYRKNIGWQL-UHFFFAOYSA-N
XLogP3.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 53.06
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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Related Compounds

N'-[2-(4-chlorophenyl)acetyl]thiophene-2-carbohydrazide
CID 809192
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
2-chloro-N'-[2-(2,6-dichlorophenyl)acetyl]benzohydrazide
CID 35929309
(2,6-dichlorophenyl)methyl thiophene-2-carboxylate
CID 925952
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate
CID 175436471
N-[2-(2,6-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 110698088
N'-[3-(furan-2-yl)propanoyl]thiophene-2-carbohydrazide
CID 47123763
N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate
CID 139072563
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2,4-dichlorobenzoate
CID 4858613
N'-(3,3-diphenylpropanoyl)thiophene-2-carbohydrazide
CID 9479339
N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide
CID 27227873
N'-[2-[bis(2-hydroxyethyl)amino]acetyl]thiophene-2-carbohydrazide
CID 60686825

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,6-dichlorophenyl)acetyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(2,6-dichlorophenyl)acetyl]thiophene-2-carbohydrazide (CID 7600829) is N'-[2-(2,6-dichlorophenyl)acetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2,6-dichlorophenyl)acetyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(2,6-dichlorophenyl)acetyl]thiophene-2-carbohydrazide is O=C(Cc1c(Cl)cccc1Cl)NNC(=O)c1cccs1.
What is the InChIKey of N'-[2-(2,6-dichlorophenyl)acetyl]thiophene-2-carbohydrazide?
The InChIKey is SVQSAYRKNIGWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2S/c14-9-3-1-4-10(15)8(9)7-12(18)16-17-13(19)11-5-2-6-20-11/h1-6H,7H2,(H,16,18)(H,17,19).
What are the key properties of N'-[2-(2,6-dichlorophenyl)acetyl]thiophene-2-carbohydrazide?
N'-[2-(2,6-dichlorophenyl)acetyl]thiophene-2-carbohydrazide has a molecular weight of 329.21 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,6-dichlorophenyl)acetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 7600829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).