5-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide

C14H23N3O2S — CID 80734028

IUPAC5-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1CN(C)CC1CCCCO1
InChIInChI=1S/C14H23N3O2S/c1-10-11(7-13(20-10)14(18)16-15)8-17(2)9-12-5-3-4-6-19-12/h7,12H,3-6,8-9,15H2,1-2H3,(H,16,18)
InChIKeyZRHTYAUSPJLCFG-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.66
Rot. Bonds5

About 5-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide

5-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide (PubChem CID 80734028) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 5-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
PubChem CID80734028
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name5-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1CN(C)CC1CCCCO1
InChIInChI=1S/C14H23N3O2S/c1-10-11(7-13(20-10)14(18)16-15)8-17(2)9-12-5-3-4-6-19-12/h7,12H,3-6,8-9,15H2,1-2H3,(H,16,18)
InChIKeyZRHTYAUSPJLCFG-UHFFFAOYSA-N
XLogP1.66
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.66
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

4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-5-methylthiophene-2-carbohydrazide
CID 80722173
5-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]thiophene-2-carbohydrazide
CID 80733545
4-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-5-methylthiophene-2-carbohydrazide
CID 102873667
2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591938
3-amino-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61436031
4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 82978354
5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 80733871
4-[[methyl(oxan-2-ylmethyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81116723
4-[(2,6-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733713
2-fluoro-3-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid
CID 107119393
4-[[ethyl(propyl)amino]methyl]-5-methylthiophene-2-carbohydrazide
CID 80733715
4-[(4-fluoro-N-methylanilino)methyl]-5-methylthiophene-2-carbohydrazide
CID 80734494

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide (CID 80734028) is 5-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide is Cc1sc(C(=O)NN)cc1CN(C)CC1CCCCO1.
What is the InChIKey of 5-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide?
The InChIKey is ZRHTYAUSPJLCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-10-11(7-13(20-10)14(18)16-15)8-17(2)9-12-5-3-4-6-19-12/h7,12H,3-6,8-9,15H2,1-2H3,(H,16,18).
What are the key properties of 5-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide?
5-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide has a molecular weight of 297.42 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 80734028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).