5-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]thiophene-2-carbohydrazide

C14H12ClN3O2S — CID 63571848

IUPAC5-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1ccc(CN2C(=O)Cc3ccc(Cl)cc32)s1
InChIInChI=1S/C14H12ClN3O2S/c15-9-2-1-8-5-13(19)18(11(8)6-9)7-10-3-4-12(21-10)14(20)17-16/h1-4,6H,5,7,16H2,(H,17,20)
InChIKeyUXMYKAIZNPHTCA-UHFFFAOYSA-N
MW321.79 g/mol
LogP2.09
Rot. Bonds3

About 5-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]thiophene-2-carbohydrazide

5-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]thiophene-2-carbohydrazide (PubChem CID 63571848) has the molecular formula C14H12ClN3O2S and a molecular weight of 321.79 g/mol. Its IUPAC name is 5-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]thiophene-2-carbohydrazide
PubChem CID63571848
Molecular FormulaC14H12ClN3O2S
Molecular Weight321.79 g/mol
Exact Mass321.03
IUPAC Name5-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1ccc(CN2C(=O)Cc3ccc(Cl)cc32)s1
InChIInChI=1S/C14H12ClN3O2S/c15-9-2-1-8-5-13(19)18(11(8)6-9)7-10-3-4-12(21-10)14(20)17-16/h1-4,6H,5,7,16H2,(H,17,20)
InChIKeyUXMYKAIZNPHTCA-UHFFFAOYSA-N
XLogP2.09
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3H-indol-2-one
CID 80610232
3-(6-chloro-2-oxo-3H-indol-1-yl)-2,2-dimethylpropanehydrazide
CID 79630982
5-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thiophene-2-carbohydrazide
CID 64828866
6-chloro-1-prop-2-ynyl-3H-indol-2-one
CID 61344508
6-chloro-1-(5-oxohexyl)-3H-indol-2-one
CID 62017686
7-amino-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]heptanamide;hydrochloride
CID 119756085
N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-4-carboxamide
CID 119307604
1-[(3-amino-2-methylphenyl)methyl]-6-chloro-3H-indol-2-one
CID 43509234
N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95020536
N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-1-ethyl-6-oxopyridazine-3-carboxamide
CID 86933819
N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride
CID 119756087
N-[(2,4-dichlorophenyl)methyl]-5-(piperazin-1-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 118112572

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]thiophene-2-carbohydrazide (CID 63571848) is 5-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]thiophene-2-carbohydrazide is NNC(=O)c1ccc(CN2C(=O)Cc3ccc(Cl)cc32)s1.
What is the InChIKey of 5-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]thiophene-2-carbohydrazide?
The InChIKey is UXMYKAIZNPHTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S/c15-9-2-1-8-5-13(19)18(11(8)6-9)7-10-3-4-12(21-10)14(20)17-16/h1-4,6H,5,7,16H2,(H,17,20).
What are the key properties of 5-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]thiophene-2-carbohydrazide?
5-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]thiophene-2-carbohydrazide has a molecular weight of 321.79 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63571848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).