3-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-carbohydrazide

C13H15N3O2S — CID 63640202

IUPAC3-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-carbohydrazide
SMILESCN(Cc1ccsc1C(=O)NN)c1ccc(O)cc1
InChIInChI=1S/C13H15N3O2S/c1-16(10-2-4-11(17)5-3-10)8-9-6-7-19-12(9)13(18)15-14/h2-7,17H,8,14H2,1H3,(H,15,18)
InChIKeyRKTMDJPGFRUVFQ-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.69
Rot. Bonds4

About 3-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-carbohydrazide

3-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-carbohydrazide (PubChem CID 63640202) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-carbohydrazide
PubChem CID63640202
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name3-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-carbohydrazide
SMILESCN(Cc1ccsc1C(=O)NN)c1ccc(O)cc1
InChIInChI=1S/C13H15N3O2S/c1-16(10-2-4-11(17)5-3-10)8-9-6-7-19-12(9)13(18)15-14/h2-7,17H,8,14H2,1H3,(H,15,18)
InChIKeyRKTMDJPGFRUVFQ-UHFFFAOYSA-N
XLogP1.69
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.69
H-Bond Donors ≤ 53
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

3-[(2-fluoro-N-methylanilino)methyl]thiophene-2-carbohydrazide
CID 55246094
2-[2-[(4-hydroxy-N-methylanilino)methyl]phenyl]acetohydrazide
CID 115465315
3-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63640383
3-[[methyl(2-methylsulfonylethyl)amino]methyl]thiophene-2-carbohydrazide
CID 79858524
3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]thiophene-2-carbohydrazide
CID 113476710
3-[[cyclohexyl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 63639193
3-(ethoxymethyl)thiophene-2-carbohydrazide
CID 63639341
3-(methylsulfanylmethyl)thiophene-2-carbohydrazide
CID 63640253
2-(4-hydroxy-N-methylanilino)acetohydrazide
CID 63568860
2-[(4-hydroxy-N-methylanilino)methyl]furan-3-carbohydrazide
CID 63569034
3-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63640901
3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiophene-2-carbohydrazide
CID 63840723

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-carbohydrazide (CID 63640202) is 3-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-carbohydrazide is CN(Cc1ccsc1C(=O)NN)c1ccc(O)cc1.
What is the InChIKey of 3-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-carbohydrazide?
The InChIKey is RKTMDJPGFRUVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-16(10-2-4-11(17)5-3-10)8-9-6-7-19-12(9)13(18)15-14/h2-7,17H,8,14H2,1H3,(H,15,18).
What are the key properties of 3-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-carbohydrazide?
3-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-carbohydrazide has a molecular weight of 277.35 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63640202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).