N'-[3-(1,3-benzothiazol-2-yl)prop-2-enoyl]-2-chlorobenzohydrazide

C17H12ClN3O2S — CID 78290733

IUPACN'-[3-(1,3-benzothiazol-2-yl)prop-2-enoyl]-2-chlorobenzohydrazide
SMILESO=C(C=Cc1nc2ccccc2s1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C17H12ClN3O2S/c18-12-6-2-1-5-11(12)17(23)21-20-15(22)9-10-16-19-13-7-3-4-8-14(13)24-16/h1-10H,(H,20,22)(H,21,23)
InChIKeyIOQYYIQZCPUILG-UHFFFAOYSA-N
MW357.82 g/mol
LogP3.42
Rot. Bonds3

About N'-[3-(1,3-benzothiazol-2-yl)prop-2-enoyl]-2-chlorobenzohydrazide

N'-[3-(1,3-benzothiazol-2-yl)prop-2-enoyl]-2-chlorobenzohydrazide (PubChem CID 78290733) has the molecular formula C17H12ClN3O2S and a molecular weight of 357.82 g/mol. Its IUPAC name is N'-[3-(1,3-benzothiazol-2-yl)prop-2-enoyl]-2-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[3-(1,3-benzothiazol-2-yl)prop-2-enoyl]-2-chlorobenzohydrazide
PubChem CID78290733
Molecular FormulaC17H12ClN3O2S
Molecular Weight357.82 g/mol
Exact Mass357.03
IUPAC NameN'-[3-(1,3-benzothiazol-2-yl)prop-2-enoyl]-2-chlorobenzohydrazide
SMILESO=C(C=Cc1nc2ccccc2s1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C17H12ClN3O2S/c18-12-6-2-1-5-11(12)17(23)21-20-15(22)9-10-16-19-13-7-3-4-8-14(13)24-16/h1-10H,(H,20,22)(H,21,23)
InChIKeyIOQYYIQZCPUILG-UHFFFAOYSA-N
XLogP3.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 53.42
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 N'-[3-(1,3-benzothiazol-2-yl)prop-2-enoyl]-2-chlorobenzohydrazide 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

N'-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 7907329
(E)-3-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)prop-2-enamide
CID 7733875
ethyl 2-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]benzoate
CID 7768304
(E)-3-(1,3-benzothiazol-2-yl)-N-(4-chloro-3-nitrophenyl)prop-2-enamide
CID 55363488
3-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 78573930
(E)-3-(1,3-benzothiazol-2-yl)-N-cyclohexylprop-2-enamide
CID 7732680
[2-(2,3-dichloroanilino)-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
CID 2107873
2-chloro-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
CID 9339631
4-[(E)-3-[2-(2-chlorobenzoyl)hydrazinyl]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134061962
(E)-3-(1,3-benzothiazol-2-yl)-N'-[2-(2,4-dimethylanilino)acetyl]prop-2-enehydrazide
CID 7923213
(E)-3-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 7733790
(E)-3-(1,3-benzothiazol-2-yl)-N-(2-tert-butylphenyl)prop-2-enamide
CID 7920135

Frequently Asked Questions

What is the IUPAC name of N'-[3-(1,3-benzothiazol-2-yl)prop-2-enoyl]-2-chlorobenzohydrazide?
The IUPAC name of N'-[3-(1,3-benzothiazol-2-yl)prop-2-enoyl]-2-chlorobenzohydrazide (CID 78290733) is N'-[3-(1,3-benzothiazol-2-yl)prop-2-enoyl]-2-chlorobenzohydrazide.
What is the SMILES notation for N'-[3-(1,3-benzothiazol-2-yl)prop-2-enoyl]-2-chlorobenzohydrazide?
The canonical SMILES for N'-[3-(1,3-benzothiazol-2-yl)prop-2-enoyl]-2-chlorobenzohydrazide is O=C(C=Cc1nc2ccccc2s1)NNC(=O)c1ccccc1Cl.
What is the InChIKey of N'-[3-(1,3-benzothiazol-2-yl)prop-2-enoyl]-2-chlorobenzohydrazide?
The InChIKey is IOQYYIQZCPUILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2S/c18-12-6-2-1-5-11(12)17(23)21-20-15(22)9-10-16-19-13-7-3-4-8-14(13)24-16/h1-10H,(H,20,22)(H,21,23).
What are the key properties of N'-[3-(1,3-benzothiazol-2-yl)prop-2-enoyl]-2-chlorobenzohydrazide?
N'-[3-(1,3-benzothiazol-2-yl)prop-2-enoyl]-2-chlorobenzohydrazide has a molecular weight of 357.82 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1,3-benzothiazol-2-yl)prop-2-enoyl]-2-chlorobenzohydrazide is sourced from PubChem (CID 78290733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).