4-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-5-methylthiophene-2-carbohydrazide

C14H23N3O2S — CID 102873667

IUPAC4-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-5-methylthiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1CN(CCCO)C1CCC1
InChIInChI=1S/C14H23N3O2S/c1-10-11(8-13(20-10)14(19)16-15)9-17(6-3-7-18)12-4-2-5-12/h8,12,18H,2-7,9,15H2,1H3,(H,16,19)
InChIKeyRTOFUEWPAGSJRZ-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.40
Rot. Bonds7

About 4-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-5-methylthiophene-2-carbohydrazide

4-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-5-methylthiophene-2-carbohydrazide (PubChem CID 102873667) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name4-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-5-methylthiophene-2-carbohydrazide
PubChem CID102873667
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-5-methylthiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1CN(CCCO)C1CCC1
InChIInChI=1S/C14H23N3O2S/c1-10-11(8-13(20-10)14(19)16-15)9-17(6-3-7-18)12-4-2-5-12/h8,12,18H,2-7,9,15H2,1H3,(H,16,19)
InChIKeyRTOFUEWPAGSJRZ-UHFFFAOYSA-N
XLogP1.40
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.40
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

5-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]thiophene-2-carbohydrazide
CID 80733545
4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-5-methylthiophene-2-carbohydrazide
CID 80721705
4-[(2,6-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733713
4-(2-cyclobutylethoxymethyl)-5-methylthiophene-2-carbohydrazide
CID 106206575
4-[[ethyl(propyl)amino]methyl]-5-methylthiophene-2-carbohydrazide
CID 80733715
5-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 80734028
5-methyl-4-[[pentyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide
CID 80733470
4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-5-methylthiophene-2-carbohydrazide
CID 80722173
3-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclobutylamino]propan-1-ol
CID 102860571
3-[cyclobutyl(3-hydroxypropyl)amino]-2-methylpropanehydrazide
CID 102873681
3-[(2-chloro-4-methylphenyl)methyl-cyclobutylamino]propan-1-ol
CID 106869320
methyl 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]benzoate
CID 102848899

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-5-methylthiophene-2-carbohydrazide?
The IUPAC name of 4-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-5-methylthiophene-2-carbohydrazide (CID 102873667) is 4-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for 4-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for 4-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-5-methylthiophene-2-carbohydrazide is Cc1sc(C(=O)NN)cc1CN(CCCO)C1CCC1.
What is the InChIKey of 4-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-5-methylthiophene-2-carbohydrazide?
The InChIKey is RTOFUEWPAGSJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-10-11(8-13(20-10)14(19)16-15)9-17(6-3-7-18)12-4-2-5-12/h8,12,18H,2-7,9,15H2,1H3,(H,16,19).
What are the key properties of 4-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-5-methylthiophene-2-carbohydrazide?
4-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-5-methylthiophene-2-carbohydrazide has a molecular weight of 297.42 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 102873667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).