5-hex-1-ynyl-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide

C16H16N2O3S — CID 574197

IUPAC5-hex-1-ynyl-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide
SMILESCCCCC#Cc1ccc(C(=O)NNC(=O)c2cccs2)o1
InChIInChI=1S/C16H16N2O3S/c1-2-3-4-5-7-12-9-10-13(21-12)15(19)17-18-16(20)14-8-6-11-22-14/h6,8-11H,2-4H2,1H3,(H,17,19)(H,18,20)
InChIKeyAOTVOGGFIITYNF-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.96
Rot. Bonds4

About 5-hex-1-ynyl-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide

5-hex-1-ynyl-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide (PubChem CID 574197) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 5-hex-1-ynyl-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-hex-1-ynyl-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide
PubChem CID574197
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name5-hex-1-ynyl-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide
SMILESCCCCC#Cc1ccc(C(=O)NNC(=O)c2cccs2)o1
InChIInChI=1S/C16H16N2O3S/c1-2-3-4-5-7-12-9-10-13(21-12)15(19)17-18-16(20)14-8-6-11-22-14/h6,8-11H,2-4H2,1H3,(H,17,19)(H,18,20)
InChIKeyAOTVOGGFIITYNF-UHFFFAOYSA-N
XLogP2.96
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-hex-1-ynyl-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-hex-1-ynyl-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide?
The IUPAC name of 5-hex-1-ynyl-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide (CID 574197) is 5-hex-1-ynyl-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide.
What is the SMILES notation for 5-hex-1-ynyl-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide?
The canonical SMILES for 5-hex-1-ynyl-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide is CCCCC#Cc1ccc(C(=O)NNC(=O)c2cccs2)o1.
What is the InChIKey of 5-hex-1-ynyl-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide?
The InChIKey is AOTVOGGFIITYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-2-3-4-5-7-12-9-10-13(21-12)15(19)17-18-16(20)14-8-6-11-22-14/h6,8-11H,2-4H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 5-hex-1-ynyl-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide?
5-hex-1-ynyl-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide has a molecular weight of 316.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hex-1-ynyl-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide is sourced from PubChem (CID 574197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).