N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-2-fluorobenzohydrazide

C15H10ClFN4O2S — CID 31794685

IUPACN'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-2-fluorobenzohydrazide
SMILESO=C(/C=C/c1c(Cl)nc2sccn12)NNC(=O)c1ccccc1F
InChIInChI=1S/C15H10ClFN4O2S/c16-13-11(21-7-8-24-15(21)18-13)5-6-12(22)19-20-14(23)9-3-1-2-4-10(9)17/h1-8H,(H,19,22)(H,20,23)/b6-5+
InChIKeyPGDHKROQFZGUGE-AATRIKPKSA-N
MW364.79 g/mol
LogP2.66
Rot. Bonds3

About N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-2-fluorobenzohydrazide

N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-2-fluorobenzohydrazide (PubChem CID 31794685) has the molecular formula C15H10ClFN4O2S and a molecular weight of 364.79 g/mol. Its IUPAC name is N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-2-fluorobenzohydrazide
PubChem CID31794685
Molecular FormulaC15H10ClFN4O2S
Molecular Weight364.79 g/mol
Exact Mass364.02
IUPAC NameN'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-2-fluorobenzohydrazide
SMILESO=C(/C=C/c1c(Cl)nc2sccn12)NNC(=O)c1ccccc1F
InChIInChI=1S/C15H10ClFN4O2S/c16-13-11(21-7-8-24-15(21)18-13)5-6-12(22)19-20-14(23)9-3-1-2-4-10(9)17/h1-8H,(H,19,22)(H,20,23)/b6-5+
InChIKeyPGDHKROQFZGUGE-AATRIKPKSA-N
XLogP2.66
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_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'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-2-fluorobenzohydrazide?
The IUPAC name of N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-2-fluorobenzohydrazide (CID 31794685) is N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-2-fluorobenzohydrazide.
What is the SMILES notation for N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-2-fluorobenzohydrazide?
The canonical SMILES for N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-2-fluorobenzohydrazide is O=C(/C=C/c1c(Cl)nc2sccn12)NNC(=O)c1ccccc1F.
What is the InChIKey of N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-2-fluorobenzohydrazide?
The InChIKey is PGDHKROQFZGUGE-AATRIKPKSA-N. The full InChI is InChI=1S/C15H10ClFN4O2S/c16-13-11(21-7-8-24-15(21)18-13)5-6-12(22)19-20-14(23)9-3-1-2-4-10(9)17/h1-8H,(H,19,22)(H,20,23)/b6-5+.
What are the key properties of N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-2-fluorobenzohydrazide?
N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-2-fluorobenzohydrazide has a molecular weight of 364.79 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-2-fluorobenzohydrazide is sourced from PubChem (CID 31794685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).