N'-[2-(2-aminoethylsulfanyl)acetyl]thiophene-2-carbohydrazide

C9H13N3O2S2 — CID 43249305

IUPACN'-[2-(2-aminoethylsulfanyl)acetyl]thiophene-2-carbohydrazide
SMILESNCCSCC(=O)NNC(=O)c1cccs1
InChIInChI=1S/C9H13N3O2S2/c10-3-5-15-6-8(13)11-12-9(14)7-2-1-4-16-7/h1-2,4H,3,5-6,10H2,(H,11,13)(H,12,14)
InChIKeyFDFPLUQTSWXKEP-UHFFFAOYSA-N
MW259.36 g/mol
LogP0.20
Rot. Bonds5

About N'-[2-(2-aminoethylsulfanyl)acetyl]thiophene-2-carbohydrazide

N'-[2-(2-aminoethylsulfanyl)acetyl]thiophene-2-carbohydrazide (PubChem CID 43249305) has the molecular formula C9H13N3O2S2 and a molecular weight of 259.36 g/mol. Its IUPAC name is N'-[2-(2-aminoethylsulfanyl)acetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-aminoethylsulfanyl)acetyl]thiophene-2-carbohydrazide
PubChem CID43249305
Molecular FormulaC9H13N3O2S2
Molecular Weight259.36 g/mol
Exact Mass259.04
IUPAC NameN'-[2-(2-aminoethylsulfanyl)acetyl]thiophene-2-carbohydrazide
SMILESNCCSCC(=O)NNC(=O)c1cccs1
InChIInChI=1S/C9H13N3O2S2/c10-3-5-15-6-8(13)11-12-9(14)7-2-1-4-16-7/h1-2,4H,3,5-6,10H2,(H,11,13)(H,12,14)
InChIKeyFDFPLUQTSWXKEP-UHFFFAOYSA-N
XLogP0.20
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
2-methyl-2-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfanylpropanoic acid
CID 81222543
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate
CID 175436471
N-(2,4-dimethylphenyl)-2-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfanylacetamide
CID 7979282
N'-[2-(4-chlorophenyl)acetyl]thiophene-2-carbohydrazide
CID 809192
N'-(3-phenylsulfanylpropanoyl)thiophene-2-carbohydrazide
CID 9479389
N'-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]thiophene-2-carbohydrazide
CID 66137028
N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate
CID 139072563
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 2531583
1-amino-3-(thiophene-2-carbonylamino)urea
CID 141065921
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N'-(3,3-diphenylpropanoyl)thiophene-2-carbohydrazide
CID 9479339

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-aminoethylsulfanyl)acetyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(2-aminoethylsulfanyl)acetyl]thiophene-2-carbohydrazide (CID 43249305) is N'-[2-(2-aminoethylsulfanyl)acetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2-aminoethylsulfanyl)acetyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(2-aminoethylsulfanyl)acetyl]thiophene-2-carbohydrazide is NCCSCC(=O)NNC(=O)c1cccs1.
What is the InChIKey of N'-[2-(2-aminoethylsulfanyl)acetyl]thiophene-2-carbohydrazide?
The InChIKey is FDFPLUQTSWXKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S2/c10-3-5-15-6-8(13)11-12-9(14)7-2-1-4-16-7/h1-2,4H,3,5-6,10H2,(H,11,13)(H,12,14).
What are the key properties of N'-[2-(2-aminoethylsulfanyl)acetyl]thiophene-2-carbohydrazide?
N'-[2-(2-aminoethylsulfanyl)acetyl]thiophene-2-carbohydrazide has a molecular weight of 259.36 g/mol, XLogP of 0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-aminoethylsulfanyl)acetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 43249305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).