2-chloro-N'-[(E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoyl]benzohydrazide

C19H13ClFN3O2S — CID 24531755

IUPAC2-chloro-N'-[(E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoyl]benzohydrazide
SMILESO=C(/C=C/c1csc(-c2ccc(F)cc2)n1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C19H13ClFN3O2S/c20-16-4-2-1-3-15(16)18(26)24-23-17(25)10-9-14-11-27-19(22-14)12-5-7-13(21)8-6-12/h1-11H,(H,23,25)(H,24,26)/b10-9+
InChIKeyNWZYUJYPBJPRSG-MDZDMXLPSA-N
MW401.85 g/mol
LogP4.08
Rot. Bonds4

About 2-chloro-N'-[(E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoyl]benzohydrazide

2-chloro-N'-[(E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoyl]benzohydrazide (PubChem CID 24531755) has the molecular formula C19H13ClFN3O2S and a molecular weight of 401.85 g/mol. Its IUPAC name is 2-chloro-N'-[(E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[(E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoyl]benzohydrazide
PubChem CID24531755
Molecular FormulaC19H13ClFN3O2S
Molecular Weight401.85 g/mol
Exact Mass401.04
IUPAC Name2-chloro-N'-[(E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoyl]benzohydrazide
SMILESO=C(/C=C/c1csc(-c2ccc(F)cc2)n1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C19H13ClFN3O2S/c20-16-4-2-1-3-15(16)18(26)24-23-17(25)10-9-14-11-27-19(22-14)12-5-7-13(21)8-6-12/h1-11H,(H,23,25)(H,24,26)/b10-9+
InChIKeyNWZYUJYPBJPRSG-MDZDMXLPSA-N
XLogP4.08
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-N'-[(E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoyl]benzohydrazide with MolForge

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

Launch Full Analysis

Related Compounds

(E)-N-ethyl-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide
CID 27007322
(E)-N-(2-ethylphenyl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enamide
CID 24524728
N'-(2-chlorobenzoyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 35929815
(E)-3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]prop-2-enoic acid
CID 5376329
N'-[3-(1,3-benzothiazol-2-yl)prop-2-enoyl]-2-chlorobenzohydrazide
CID 78290733
(E)-N-[(3-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-methylprop-2-enamide
CID 17492499
2-chloro-N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide
CID 35929660
(E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(4-methyl-3-nitrophenyl)prop-2-enamide
CID 24531576
(E)-3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-(2-nitrophenyl)prop-2-en-1-one
CID 9448007
2-chloro-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
CID 9339631
2-chloro-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]benzohydrazide
CID 9037519
(E)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 108770202

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[(E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[(E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoyl]benzohydrazide (CID 24531755) is 2-chloro-N'-[(E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[(E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[(E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoyl]benzohydrazide is O=C(/C=C/c1csc(-c2ccc(F)cc2)n1)NNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N'-[(E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoyl]benzohydrazide?
The InChIKey is NWZYUJYPBJPRSG-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H13ClFN3O2S/c20-16-4-2-1-3-15(16)18(26)24-23-17(25)10-9-14-11-27-19(22-14)12-5-7-13(21)8-6-12/h1-11H,(H,23,25)(H,24,26)/b10-9+.
What are the key properties of 2-chloro-N'-[(E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoyl]benzohydrazide?
2-chloro-N'-[(E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoyl]benzohydrazide has a molecular weight of 401.85 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[(E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 24531755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).