2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-methylamino]-N-propylacetamide

C13H22N4O2S — CID 80734175

IUPAC2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1cc(C(=O)NN)sc1C
InChIInChI=1S/C13H22N4O2S/c1-4-5-15-12(18)8-17(3)7-10-6-11(13(19)16-14)20-9(10)2/h6H,4-5,7-8,14H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyAMMDRUYRJWBECL-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.62
Rot. Bonds7

About 2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-methylamino]-N-propylacetamide

2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-methylamino]-N-propylacetamide (PubChem CID 80734175) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-methylamino]-N-propylacetamide
PubChem CID80734175
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1cc(C(=O)NN)sc1C
InChIInChI=1S/C13H22N4O2S/c1-4-5-15-12(18)8-17(3)7-10-6-11(13(19)16-14)20-9(10)2/h6H,4-5,7-8,14H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyAMMDRUYRJWBECL-UHFFFAOYSA-N
XLogP0.62
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.62
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

N-ethyl-2-[ethyl-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl]amino]acetamide
CID 80733732
4-[[ethyl(propyl)amino]methyl]-5-methylthiophene-2-carbohydrazide
CID 80733715
4-ethyl-5-methyl-N-propylthiophene-2-carboxamide
CID 60637688
2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-propan-2-ylamino]acetamide
CID 80734339
2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide
CID 47006716
5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 80733871
5-methyl-4-[[pentyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide
CID 80733470
5-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]thiophene-2-carbohydrazide
CID 80733545
2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-propylacetamide
CID 63585474
4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-5-methylthiophene-2-carbohydrazide
CID 80722173
4-[(4-fluoro-N-methylanilino)methyl]-5-methylthiophene-2-carbohydrazide
CID 80734494
4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-5-methylthiophene-2-carbohydrazide
CID 80721705

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-methylamino]-N-propylacetamide (CID 80734175) is 2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)Cc1cc(C(=O)NN)sc1C.
What is the InChIKey of 2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-methylamino]-N-propylacetamide?
The InChIKey is AMMDRUYRJWBECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-4-5-15-12(18)8-17(3)7-10-6-11(13(19)16-14)20-9(10)2/h6H,4-5,7-8,14H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of 2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-methylamino]-N-propylacetamide?
2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-methylamino]-N-propylacetamide has a molecular weight of 298.41 g/mol, XLogP of 0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(hydrazinecarbonyl)-2-methylthiophen-3-yl]methyl-methylamino]-N-propylacetamide is sourced from PubChem (CID 80734175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).