1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide

C14H14N4O4S2 — CID 3715888

IUPAC1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
SMILESO=C(CCC(=O)NNC(=O)c1cccs1)NNC(=O)c1cccs1
InChIInChI=1S/C14H14N4O4S2/c19-11(15-17-13(21)9-3-1-7-23-9)5-6-12(20)16-18-14(22)10-4-2-8-24-10/h1-4,7-8H,5-6H2,(H,15,19)(H,16,20)(H,17,21)(H,18,22)
InChIKeyCPKSQSQPULFJKF-UHFFFAOYSA-N
MW366.42 g/mol
LogP0.81
Rot. Bonds5

About 1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide

1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide (PubChem CID 3715888) has the molecular formula C14H14N4O4S2 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide.

Molecular Properties

Compound Name1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
PubChem CID3715888
Molecular FormulaC14H14N4O4S2
Molecular Weight366.42 g/mol
Exact Mass366.05
IUPAC Name1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
SMILESO=C(CCC(=O)NNC(=O)c1cccs1)NNC(=O)c1cccs1
InChIInChI=1S/C14H14N4O4S2/c19-11(15-17-13(21)9-3-1-7-23-9)5-6-12(20)16-18-14(22)10-4-2-8-24-10/h1-4,7-8H,5-6H2,(H,15,19)(H,16,20)(H,17,21)(H,18,22)
InChIKeyCPKSQSQPULFJKF-UHFFFAOYSA-N
XLogP0.81
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 50.81
H-Bond Donors ≤ 54
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'-(3-phenylsulfanylpropanoyl)thiophene-2-carbohydrazide
CID 9479389
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate
CID 175436471
N'-[3-(furan-2-yl)propanoyl]thiophene-2-carbohydrazide
CID 47123763
N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate
CID 139072563
N'-(3,3-diphenylpropanoyl)thiophene-2-carbohydrazide
CID 9479339
N'-[2-(4-chlorophenyl)acetyl]thiophene-2-carbohydrazide
CID 809192
N'-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]thiophene-2-carbohydrazide
CID 9479209
N'-[2-[bis(2-hydroxyethyl)amino]acetyl]thiophene-2-carbohydrazide
CID 60686825
N'-[2-(2,6-dichlorophenyl)acetyl]thiophene-2-carbohydrazide
CID 7600829
N'-[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]thiophene-2-carbohydrazide
CID 18287127
N'-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoyl]thiophene-2-carbohydrazide
CID 2487694
N'-[2-(2-aminoethylsulfanyl)acetyl]thiophene-2-carbohydrazide
CID 43249305

Frequently Asked Questions

What is the IUPAC name of 1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide?
The IUPAC name of 1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide (CID 3715888) is 1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide.
What is the SMILES notation for 1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide?
The canonical SMILES for 1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide is O=C(CCC(=O)NNC(=O)c1cccs1)NNC(=O)c1cccs1.
What is the InChIKey of 1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide?
The InChIKey is CPKSQSQPULFJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4S2/c19-11(15-17-13(21)9-3-1-7-23-9)5-6-12(20)16-18-14(22)10-4-2-8-24-10/h1-4,7-8H,5-6H2,(H,15,19)(H,16,20)(H,17,21)(H,18,22).
What are the key properties of 1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide?
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide has a molecular weight of 366.42 g/mol, XLogP of 0.81, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide is sourced from PubChem (CID 3715888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).