5-[(2-methoxy-N-methylanilino)methyl]thiophene-2-carbohydrazide

C14H17N3O2S — CID 63585839

IUPAC5-[(2-methoxy-N-methylanilino)methyl]thiophene-2-carbohydrazide
SMILESCOc1ccccc1N(C)Cc1ccc(C(=O)NN)s1
InChIInChI=1S/C14H17N3O2S/c1-17(11-5-3-4-6-12(11)19-2)9-10-7-8-13(20-10)14(18)16-15/h3-8H,9,15H2,1-2H3,(H,16,18)
InChIKeyOZXHOSVAXGSWJU-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.00
Rot. Bonds5

About 5-[(2-methoxy-N-methylanilino)methyl]thiophene-2-carbohydrazide

5-[(2-methoxy-N-methylanilino)methyl]thiophene-2-carbohydrazide (PubChem CID 63585839) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 5-[(2-methoxy-N-methylanilino)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[(2-methoxy-N-methylanilino)methyl]thiophene-2-carbohydrazide
PubChem CID63585839
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name5-[(2-methoxy-N-methylanilino)methyl]thiophene-2-carbohydrazide
SMILESCOc1ccccc1N(C)Cc1ccc(C(=O)NN)s1
InChIInChI=1S/C14H17N3O2S/c1-17(11-5-3-4-6-12(11)19-2)9-10-7-8-13(20-10)14(18)16-15/h3-8H,9,15H2,1-2H3,(H,16,18)
InChIKeyOZXHOSVAXGSWJU-UHFFFAOYSA-N
XLogP2.00
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-[(3-fluoro-N-methylanilino)methyl]thiophene-2-carbohydrazide
CID 63583474
5-[(2-methoxy-N-methylanilino)methyl]-1,3-thiazol-2-amine
CID 79772599
N-ethyl-2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methyl-methylamino]acetamide
CID 63583466
5-[(dipropylamino)methyl]thiophene-2-carbohydrazide
CID 63570424
N-(hydrazinylmethyl)-2-methoxy-N-methylaniline
CID 115260697
5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophene-2-carbohydrazide
CID 81067684
5-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 63585226
5-[(2-chlorophenoxy)methyl]thiophene-2-carbohydrazide
CID 55212226
5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63573242
2-(2-methoxy-N-methylanilino)-N-phenylacetamide
CID 47280952
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-2-methoxy-N-methylaniline
CID 62430923
5-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carbohydrazide
CID 63583743

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-N-methylanilino)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[(2-methoxy-N-methylanilino)methyl]thiophene-2-carbohydrazide (CID 63585839) is 5-[(2-methoxy-N-methylanilino)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[(2-methoxy-N-methylanilino)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[(2-methoxy-N-methylanilino)methyl]thiophene-2-carbohydrazide is COc1ccccc1N(C)Cc1ccc(C(=O)NN)s1.
What is the InChIKey of 5-[(2-methoxy-N-methylanilino)methyl]thiophene-2-carbohydrazide?
The InChIKey is OZXHOSVAXGSWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-17(11-5-3-4-6-12(11)19-2)9-10-7-8-13(20-10)14(18)16-15/h3-8H,9,15H2,1-2H3,(H,16,18).
What are the key properties of 5-[(2-methoxy-N-methylanilino)methyl]thiophene-2-carbohydrazide?
5-[(2-methoxy-N-methylanilino)methyl]thiophene-2-carbohydrazide has a molecular weight of 291.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-N-methylanilino)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63585839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).