N-[2-(2-benzylidenehydrazinyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide

C16H14N4OS2 — CID 3832544

IUPACN-[2-(2-benzylidenehydrazinyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide
SMILESCC(=O)Nc1sc(NN=Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C16H14N4OS2/c1-11(21)18-15-14(13-8-5-9-22-13)19-16(23-15)20-17-10-12-6-3-2-4-7-12/h2-10H,1H3,(H,18,21)(H,19,20)
InChIKeyTWVZIGRMMWBHBP-UHFFFAOYSA-N
MW342.45 g/mol
LogP4.28
Rot. Bonds5

About N-[2-(2-benzylidenehydrazinyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide

N-[2-(2-benzylidenehydrazinyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide (PubChem CID 3832544) has the molecular formula C16H14N4OS2 and a molecular weight of 342.45 g/mol. Its IUPAC name is N-[2-(2-benzylidenehydrazinyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-benzylidenehydrazinyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide
PubChem CID3832544
Molecular FormulaC16H14N4OS2
Molecular Weight342.45 g/mol
Exact Mass342.06
IUPAC NameN-[2-(2-benzylidenehydrazinyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide
SMILESCC(=O)Nc1sc(NN=Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C16H14N4OS2/c1-11(21)18-15-14(13-8-5-9-22-13)19-16(23-15)20-17-10-12-6-3-2-4-7-12/h2-10H,1H3,(H,18,21)(H,19,20)
InChIKeyTWVZIGRMMWBHBP-UHFFFAOYSA-N
XLogP4.28
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-benzylidenehydrazinyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-[2-(2-benzylidenehydrazinyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide (CID 3832544) is N-[2-(2-benzylidenehydrazinyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-[2-(2-benzylidenehydrazinyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-[2-(2-benzylidenehydrazinyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide is CC(=O)Nc1sc(NN=Cc2ccccc2)nc1-c1cccs1.
What is the InChIKey of N-[2-(2-benzylidenehydrazinyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide?
The InChIKey is TWVZIGRMMWBHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS2/c1-11(21)18-15-14(13-8-5-9-22-13)19-16(23-15)20-17-10-12-6-3-2-4-7-12/h2-10H,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(2-benzylidenehydrazinyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide?
N-[2-(2-benzylidenehydrazinyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide has a molecular weight of 342.45 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-benzylidenehydrazinyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 3832544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).