N'-[2-[2-hydroxyethyl(2-methoxyethyl)amino]acetyl]thiophene-2-carbohydrazide

C12H19N3O4S — CID 115927504

IUPACN'-[2-[2-hydroxyethyl(2-methoxyethyl)amino]acetyl]thiophene-2-carbohydrazide
SMILESCOCCN(CCO)CC(=O)NNC(=O)c1cccs1
InChIInChI=1S/C12H19N3O4S/c1-19-7-5-15(4-6-16)9-11(17)13-14-12(18)10-3-2-8-20-10/h2-3,8,16H,4-7,9H2,1H3,(H,13,17)(H,14,18)
InChIKeyIGSKBZJXKYSDJT-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.55
Rot. Bonds8

About N'-[2-[2-hydroxyethyl(2-methoxyethyl)amino]acetyl]thiophene-2-carbohydrazide

N'-[2-[2-hydroxyethyl(2-methoxyethyl)amino]acetyl]thiophene-2-carbohydrazide (PubChem CID 115927504) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is N'-[2-[2-hydroxyethyl(2-methoxyethyl)amino]acetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[2-hydroxyethyl(2-methoxyethyl)amino]acetyl]thiophene-2-carbohydrazide
PubChem CID115927504
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC NameN'-[2-[2-hydroxyethyl(2-methoxyethyl)amino]acetyl]thiophene-2-carbohydrazide
SMILESCOCCN(CCO)CC(=O)NNC(=O)c1cccs1
InChIInChI=1S/C12H19N3O4S/c1-19-7-5-15(4-6-16)9-11(17)13-14-12(18)10-3-2-8-20-10/h2-3,8,16H,4-7,9H2,1H3,(H,13,17)(H,14,18)
InChIKeyIGSKBZJXKYSDJT-UHFFFAOYSA-N
XLogP-0.55
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-[bis(2-hydroxyethyl)amino]acetyl]thiophene-2-carbohydrazide
CID 60686825
2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 115613728
N'-[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]thiophene-2-carbohydrazide
CID 62016772
methyl 2-[[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]-propan-2-ylamino]acetate
CID 62026843
N-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 115902337
2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 115613694
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate
CID 139072563
N-[2-[2-hydroxyethyl(2-methoxyethyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 115772717
N'-[2-[(3-amino-4-methylpentyl)-methylamino]acetyl]thiophene-2-carbohydrazide
CID 115317749
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate
CID 175436471
N-(4-fluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide
CID 111436369

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-hydroxyethyl(2-methoxyethyl)amino]acetyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-[2-hydroxyethyl(2-methoxyethyl)amino]acetyl]thiophene-2-carbohydrazide (CID 115927504) is N'-[2-[2-hydroxyethyl(2-methoxyethyl)amino]acetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-[2-hydroxyethyl(2-methoxyethyl)amino]acetyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-[2-hydroxyethyl(2-methoxyethyl)amino]acetyl]thiophene-2-carbohydrazide is COCCN(CCO)CC(=O)NNC(=O)c1cccs1.
What is the InChIKey of N'-[2-[2-hydroxyethyl(2-methoxyethyl)amino]acetyl]thiophene-2-carbohydrazide?
The InChIKey is IGSKBZJXKYSDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-19-7-5-15(4-6-16)9-11(17)13-14-12(18)10-3-2-8-20-10/h2-3,8,16H,4-7,9H2,1H3,(H,13,17)(H,14,18).
What are the key properties of N'-[2-[2-hydroxyethyl(2-methoxyethyl)amino]acetyl]thiophene-2-carbohydrazide?
N'-[2-[2-hydroxyethyl(2-methoxyethyl)amino]acetyl]thiophene-2-carbohydrazide has a molecular weight of 301.37 g/mol, XLogP of -0.55, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-hydroxyethyl(2-methoxyethyl)amino]acetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 115927504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).