5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophene-2-carbohydrazide

C12H21N3O2S — CID 81067684

IUPAC5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCC(C)OCCN(C)Cc1ccc(C(=O)NN)s1
InChIInChI=1S/C12H21N3O2S/c1-9(2)17-7-6-15(3)8-10-4-5-11(18-10)12(16)14-13/h4-5,9H,6-8,13H2,1-3H3,(H,14,16)
InChIKeyKBFOLKBZJMVBBR-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.21
Rot. Bonds7

About 5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophene-2-carbohydrazide

5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophene-2-carbohydrazide (PubChem CID 81067684) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophene-2-carbohydrazide
PubChem CID81067684
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCC(C)OCCN(C)Cc1ccc(C(=O)NN)s1
InChIInChI=1S/C12H21N3O2S/c1-9(2)17-7-6-15(3)8-10-4-5-11(18-10)12(16)14-13/h4-5,9H,6-8,13H2,1-3H3,(H,14,16)
InChIKeyKBFOLKBZJMVBBR-UHFFFAOYSA-N
XLogP1.21
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.21
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

N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 107557246
5-[[2-cyanopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 55212482
5-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carbohydrazide
CID 63583743
5-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 63585226
3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-carbohydrazide
CID 81067916
5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide
CID 63578253
2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzohydrazide
CID 81068442
N-ethyl-2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methyl-methylamino]acetamide
CID 63583466
5-[(dipropylamino)methyl]thiophene-2-carbohydrazide
CID 63570424
5-[[cyclopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 63573825
5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63573242
5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63571803

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophene-2-carbohydrazide (CID 81067684) is 5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophene-2-carbohydrazide is CC(C)OCCN(C)Cc1ccc(C(=O)NN)s1.
What is the InChIKey of 5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophene-2-carbohydrazide?
The InChIKey is KBFOLKBZJMVBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-9(2)17-7-6-15(3)8-10-4-5-11(18-10)12(16)14-13/h4-5,9H,6-8,13H2,1-3H3,(H,14,16).
What are the key properties of 5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophene-2-carbohydrazide?
5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophene-2-carbohydrazide has a molecular weight of 271.39 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 81067684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).