4-[[ethyl(propyl)amino]methyl]-5-methylthiophene-2-carbohydrazide

C12H21N3OS — CID 80733715

IUPAC4-[[ethyl(propyl)amino]methyl]-5-methylthiophene-2-carbohydrazide
SMILESCCCN(CC)Cc1cc(C(=O)NN)sc1C
InChIInChI=1S/C12H21N3OS/c1-4-6-15(5-2)8-10-7-11(12(16)14-13)17-9(10)3/h7H,4-6,8,13H2,1-3H3,(H,14,16)
InChIKeyMKKWBTXQBWNOLL-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.89
Rot. Bonds6

About 4-[[ethyl(propyl)amino]methyl]-5-methylthiophene-2-carbohydrazide

4-[[ethyl(propyl)amino]methyl]-5-methylthiophene-2-carbohydrazide (PubChem CID 80733715) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 4-[[ethyl(propyl)amino]methyl]-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name4-[[ethyl(propyl)amino]methyl]-5-methylthiophene-2-carbohydrazide
PubChem CID80733715
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name4-[[ethyl(propyl)amino]methyl]-5-methylthiophene-2-carbohydrazide
SMILESCCCN(CC)Cc1cc(C(=O)NN)sc1C
InChIInChI=1S/C12H21N3OS/c1-4-6-15(5-2)8-10-7-11(12(16)14-13)17-9(10)3/h7H,4-6,8,13H2,1-3H3,(H,14,16)
InChIKeyMKKWBTXQBWNOLL-UHFFFAOYSA-N
XLogP1.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-ethyl-2-[ethyl-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl]amino]acetamide
CID 80733732
4-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-methylthiophene-2-carbohydrazide
CID 80733881
5-methyl-4-[[pentyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide
CID 80733470
2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-propan-2-ylamino]acetamide
CID 80734339
2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-methylamino]-N-propylacetamide
CID 80734175
4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-5-methylthiophene-2-carbohydrazide
CID 80721705
4-[(4-fluoro-N-methylanilino)methyl]-5-methylthiophene-2-carbohydrazide
CID 80734494
4-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-5-methylthiophene-2-carbohydrazide
CID 102873667
N',N',5-trimethyl-4-propylthiophene-2-carbohydrazide
CID 9179994
5-[(dipropylamino)methyl]thiophene-2-carbohydrazide
CID 63570424
5-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]thiophene-2-carbohydrazide
CID 80733545
5-methyl-4-(propan-2-yloxymethyl)thiophene-2-carbohydrazide
CID 80734538

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(propyl)amino]methyl]-5-methylthiophene-2-carbohydrazide?
The IUPAC name of 4-[[ethyl(propyl)amino]methyl]-5-methylthiophene-2-carbohydrazide (CID 80733715) is 4-[[ethyl(propyl)amino]methyl]-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for 4-[[ethyl(propyl)amino]methyl]-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for 4-[[ethyl(propyl)amino]methyl]-5-methylthiophene-2-carbohydrazide is CCCN(CC)Cc1cc(C(=O)NN)sc1C.
What is the InChIKey of 4-[[ethyl(propyl)amino]methyl]-5-methylthiophene-2-carbohydrazide?
The InChIKey is MKKWBTXQBWNOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-4-6-15(5-2)8-10-7-11(12(16)14-13)17-9(10)3/h7H,4-6,8,13H2,1-3H3,(H,14,16).
What are the key properties of 4-[[ethyl(propyl)amino]methyl]-5-methylthiophene-2-carbohydrazide?
4-[[ethyl(propyl)amino]methyl]-5-methylthiophene-2-carbohydrazide has a molecular weight of 255.39 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(propyl)amino]methyl]-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 80733715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).