N-(2-chloroacetyl)thiophene-2-carbohydrazide

C7H7ClN2O2S — CID 67590903

IUPACN-(2-chloroacetyl)thiophene-2-carbohydrazide
SMILESNN(C(=O)CCl)C(=O)c1cccs1
InChIInChI=1S/C7H7ClN2O2S/c8-4-6(11)10(9)7(12)5-2-1-3-13-5/h1-3H,4,9H2
InChIKeyMYAOGXNLDLDSQH-UHFFFAOYSA-N
MW218.66 g/mol
LogP0.83
Rot. Bonds2

About N-(2-chloroacetyl)thiophene-2-carbohydrazide

N-(2-chloroacetyl)thiophene-2-carbohydrazide (PubChem CID 67590903) has the molecular formula C7H7ClN2O2S and a molecular weight of 218.66 g/mol. Its IUPAC name is N-(2-chloroacetyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN-(2-chloroacetyl)thiophene-2-carbohydrazide
PubChem CID67590903
Molecular FormulaC7H7ClN2O2S
Molecular Weight218.66 g/mol
Exact Mass217.99
IUPAC NameN-(2-chloroacetyl)thiophene-2-carbohydrazide
SMILESNN(C(=O)CCl)C(=O)c1cccs1
InChIInChI=1S/C7H7ClN2O2S/c8-4-6(11)10(9)7(12)5-2-1-3-13-5/h1-3H,4,9H2
InChIKeyMYAOGXNLDLDSQH-UHFFFAOYSA-N
XLogP0.83
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethylthiophene-2-carboxamide
CID 962897
N-butylthiophene-2-carbohydrazide
CID 54350563
sodium thiophene-2-carboxylate
CID 23672340
CID 69259223
CID 69259223
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-propyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
CID 91704675
N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
CID 115282462
N,N-bis(cyanomethyl)thiophene-2-carboxamide
CID 710672
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylthiophene-2-carboxamide
CID 110663600
N-(3-amino-3-oxopropyl)thiophene-2-carboxamide
CID 43236649
ethyl 2-[propan-2-yl(thiophene-2-carbonyl)amino]acetate
CID 54896878
2-[carboxymethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 63651794

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroacetyl)thiophene-2-carbohydrazide?
The IUPAC name of N-(2-chloroacetyl)thiophene-2-carbohydrazide (CID 67590903) is N-(2-chloroacetyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N-(2-chloroacetyl)thiophene-2-carbohydrazide?
The canonical SMILES for N-(2-chloroacetyl)thiophene-2-carbohydrazide is NN(C(=O)CCl)C(=O)c1cccs1.
What is the InChIKey of N-(2-chloroacetyl)thiophene-2-carbohydrazide?
The InChIKey is MYAOGXNLDLDSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2S/c8-4-6(11)10(9)7(12)5-2-1-3-13-5/h1-3H,4,9H2.
What are the key properties of N-(2-chloroacetyl)thiophene-2-carbohydrazide?
N-(2-chloroacetyl)thiophene-2-carbohydrazide has a molecular weight of 218.66 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroacetyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 67590903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).