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

C16H13FN4OS2 — CID 3770346

IUPACN-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide
SMILESCC(=O)Nc1sc(NN=Cc2ccccc2F)nc1-c1cccs1
InChIInChI=1S/C16H13FN4OS2/c1-10(22)19-15-14(13-7-4-8-23-13)20-16(24-15)21-18-9-11-5-2-3-6-12(11)17/h2-9H,1H3,(H,19,22)(H,20,21)
InChIKeyQRXLHKFKGROOLR-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.42
Rot. Bonds5

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

N-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide (PubChem CID 3770346) has the molecular formula C16H13FN4OS2 and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide
PubChem CID3770346
Molecular FormulaC16H13FN4OS2
Molecular Weight360.44 g/mol
Exact Mass360.05
IUPAC NameN-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide
SMILESCC(=O)Nc1sc(NN=Cc2ccccc2F)nc1-c1cccs1
InChIInChI=1S/C16H13FN4OS2/c1-10(22)19-15-14(13-7-4-8-23-13)20-16(24-15)21-18-9-11-5-2-3-6-12(11)17/h2-9H,1H3,(H,19,22)(H,20,21)
InChIKeyQRXLHKFKGROOLR-UHFFFAOYSA-N
XLogP4.42
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.42
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-[(2-fluorophenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide (CID 3770346) is N-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide is CC(=O)Nc1sc(NN=Cc2ccccc2F)nc1-c1cccs1.
What is the InChIKey of N-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide?
The InChIKey is QRXLHKFKGROOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4OS2/c1-10(22)19-15-14(13-7-4-8-23-13)20-16(24-15)21-18-9-11-5-2-3-6-12(11)17/h2-9H,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide?
N-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide has a molecular weight of 360.44 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 3770346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).