(E)-N'-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enehydrazide

C16H12N4O3S — CID 94844895

IUPAC(E)-N'-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enehydrazide
SMILESO=C(/C=C/c1ccccc1)NNc1nc2ccc([N+](=O)[O-])cc2s1
InChIInChI=1S/C16H12N4O3S/c21-15(9-6-11-4-2-1-3-5-11)18-19-16-17-13-8-7-12(20(22)23)10-14(13)24-16/h1-10H,(H,17,19)(H,18,21)/b9-6+
InChIKeyOPFAGIJAIALQFA-RMKNXTFCSA-N
MW340.36 g/mol
LogP3.36
Rot. Bonds5

About (E)-N'-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enehydrazide

(E)-N'-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enehydrazide (PubChem CID 94844895) has the molecular formula C16H12N4O3S and a molecular weight of 340.36 g/mol. Its IUPAC name is (E)-N'-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enehydrazide
PubChem CID94844895
Molecular FormulaC16H12N4O3S
Molecular Weight340.36 g/mol
Exact Mass340.06
IUPAC Name(E)-N'-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enehydrazide
SMILESO=C(/C=C/c1ccccc1)NNc1nc2ccc([N+](=O)[O-])cc2s1
InChIInChI=1S/C16H12N4O3S/c21-15(9-6-11-4-2-1-3-5-11)18-19-16-17-13-8-7-12(20(22)23)10-14(13)24-16/h1-10H,(H,17,19)(H,18,21)/b9-6+
InChIKeyOPFAGIJAIALQFA-RMKNXTFCSA-N
XLogP3.36
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-N'-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enehydrazide 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-(6-nitro-1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide
CID 3449242
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 4048163
(E)-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide
CID 53268767
N-(6-nitro-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
CID 2433919
(E)-3-(3-hydroxy-4-methoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide
CID 44819486
3-nitro-N'-(3-phenylprop-2-enoyl)benzohydrazide
CID 3738377
(E)-3-(2-butoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide
CID 19202304
N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 694783
(E)-N'-(2-nitrophenyl)-3-phenylprop-2-enehydrazide
CID 6132769
2-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 7329698
(E)-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide
CID 53268886
N-(6-nitro-1,3-benzothiazol-2-yl)-4-(3-phenylprop-2-enyl)piperazine-1-carbothioamide
CID 85336779

Frequently Asked Questions

What is the IUPAC name of (E)-N'-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enehydrazide?
The IUPAC name of (E)-N'-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enehydrazide (CID 94844895) is (E)-N'-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enehydrazide.
What is the SMILES notation for (E)-N'-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enehydrazide?
The canonical SMILES for (E)-N'-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enehydrazide is O=C(/C=C/c1ccccc1)NNc1nc2ccc([N+](=O)[O-])cc2s1.
What is the InChIKey of (E)-N'-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enehydrazide?
The InChIKey is OPFAGIJAIALQFA-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H12N4O3S/c21-15(9-6-11-4-2-1-3-5-11)18-19-16-17-13-8-7-12(20(22)23)10-14(13)24-16/h1-10H,(H,17,19)(H,18,21)/b9-6+.
What are the key properties of (E)-N'-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enehydrazide?
(E)-N'-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enehydrazide has a molecular weight of 340.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enehydrazide is sourced from PubChem (CID 94844895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).