N'-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]thiophene-2-carbohydrazide

C12H18N4O2S — CID 103577312

IUPACN'-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]thiophene-2-carbohydrazide
SMILESCC1CN(CC(=O)NNC(=O)c2cccs2)CC1N
InChIInChI=1S/C12H18N4O2S/c1-8-5-16(6-9(8)13)7-11(17)14-15-12(18)10-3-2-4-19-10/h2-4,8-9H,5-7,13H2,1H3,(H,14,17)(H,15,18)
InChIKeyUXWTYGMLXNOPOA-UHFFFAOYSA-N
MW282.37 g/mol
LogP-0.21
Rot. Bonds3

About N'-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]thiophene-2-carbohydrazide

N'-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]thiophene-2-carbohydrazide (PubChem CID 103577312) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N'-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]thiophene-2-carbohydrazide
PubChem CID103577312
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN'-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]thiophene-2-carbohydrazide
SMILESCC1CN(CC(=O)NNC(=O)c2cccs2)CC1N
InChIInChI=1S/C12H18N4O2S/c1-8-5-16(6-9(8)13)7-11(17)14-15-12(18)10-3-2-4-19-10/h2-4,8-9H,5-7,13H2,1H3,(H,14,17)(H,15,18)
InChIKeyUXWTYGMLXNOPOA-UHFFFAOYSA-N
XLogP-0.21
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]azetidin-3-yl]propanoic acid
CID 116683976
N'-[2-(4-hydroxypiperidin-1-yl)acetyl]thiophene-2-carbohydrazide
CID 60674119
N'-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]thiophene-2-carbohydrazide
CID 115314251
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-methylcyclopropane-1-carboxylate
CID 4885518
trans-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 2539027
N'-[2-[(2S)-2-methylpiperazin-1-yl]acetyl]thiophene-2-carbohydrazide
CID 82756313
N'-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetyl]thiophene-2-carbohydrazide
CID 81209025
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
N-[4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 47091649
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate
CID 175436471
1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]piperidine-2-carboxylic acid
CID 43441254
N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate
CID 139072563

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]thiophene-2-carbohydrazide (CID 103577312) is N'-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]thiophene-2-carbohydrazide is CC1CN(CC(=O)NNC(=O)c2cccs2)CC1N.
What is the InChIKey of N'-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]thiophene-2-carbohydrazide?
The InChIKey is UXWTYGMLXNOPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-8-5-16(6-9(8)13)7-11(17)14-15-12(18)10-3-2-4-19-10/h2-4,8-9H,5-7,13H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N'-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]thiophene-2-carbohydrazide?
N'-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]thiophene-2-carbohydrazide has a molecular weight of 282.37 g/mol, XLogP of -0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 103577312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).