N'-(2-chloroacetyl)-1,3-benzothiazole-2-carbohydrazide

C10H8ClN3O2S — CID 166414706

IUPACN'-(2-chloroacetyl)-1,3-benzothiazole-2-carbohydrazide
SMILESO=C(CCl)NNC(=O)c1nc2ccccc2s1
InChIInChI=1S/C10H8ClN3O2S/c11-5-8(15)13-14-9(16)10-12-6-3-1-2-4-7(6)17-10/h1-4H,5H2,(H,13,15)(H,14,16)
InChIKeyZDTZVPQWGMIASU-UHFFFAOYSA-N
MW269.71 g/mol
LogP1.30
Rot. Bonds2

About N'-(2-chloroacetyl)-1,3-benzothiazole-2-carbohydrazide

N'-(2-chloroacetyl)-1,3-benzothiazole-2-carbohydrazide (PubChem CID 166414706) has the molecular formula C10H8ClN3O2S and a molecular weight of 269.71 g/mol. Its IUPAC name is N'-(2-chloroacetyl)-1,3-benzothiazole-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-chloroacetyl)-1,3-benzothiazole-2-carbohydrazide
PubChem CID166414706
Molecular FormulaC10H8ClN3O2S
Molecular Weight269.71 g/mol
Exact Mass269.00
IUPAC NameN'-(2-chloroacetyl)-1,3-benzothiazole-2-carbohydrazide
SMILESO=C(CCl)NNC(=O)c1nc2ccccc2s1
InChIInChI=1S/C10H8ClN3O2S/c11-5-8(15)13-14-9(16)10-12-6-3-1-2-4-7(6)17-10/h1-4H,5H2,(H,13,15)(H,14,16)
InChIKeyZDTZVPQWGMIASU-UHFFFAOYSA-N
XLogP1.30
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(2-chloroacetyl)-1,3-benzothiazole-2-carbohydrazide 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'-(benzenesulfonyl)-1,3-benzothiazole-2-carbohydrazide
CID 125485508
N-phenyl-1,3-benzothiazole-2-carboxamide
CID 900706
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
1-(1,3-benzothiazol-2-yl)-3-hydroxyprop-2-en-1-one
CID 51508743
N-[(5-methylpyrazolidin-3-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 74552021
[(1S)-2-(1,3-benzothiazole-2-carbonylamino)-1-phenylethyl]-dimethylazanium
CID 2377380
N-[3-(thiophene-2-carbonylamino)propyl]-1,3-benzothiazole-2-carboxamide
CID 30370193
N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 146080771
N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide
CID 2445261
N-(2-fluorophenyl)-1,3-benzothiazole-2-carboxamide
CID 5124389
N-(1-hydroxybutan-2-yl)-1,3-benzothiazole-2-carboxamide
CID 110488503
N-(2-hydroxy-2-thiophen-3-ylethyl)-1,3-benzothiazole-2-carboxamide
CID 90496484

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloroacetyl)-1,3-benzothiazole-2-carbohydrazide?
The IUPAC name of N'-(2-chloroacetyl)-1,3-benzothiazole-2-carbohydrazide (CID 166414706) is N'-(2-chloroacetyl)-1,3-benzothiazole-2-carbohydrazide.
What is the SMILES notation for N'-(2-chloroacetyl)-1,3-benzothiazole-2-carbohydrazide?
The canonical SMILES for N'-(2-chloroacetyl)-1,3-benzothiazole-2-carbohydrazide is O=C(CCl)NNC(=O)c1nc2ccccc2s1.
What is the InChIKey of N'-(2-chloroacetyl)-1,3-benzothiazole-2-carbohydrazide?
The InChIKey is ZDTZVPQWGMIASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2S/c11-5-8(15)13-14-9(16)10-12-6-3-1-2-4-7(6)17-10/h1-4H,5H2,(H,13,15)(H,14,16).
What are the key properties of N'-(2-chloroacetyl)-1,3-benzothiazole-2-carbohydrazide?
N'-(2-chloroacetyl)-1,3-benzothiazole-2-carbohydrazide has a molecular weight of 269.71 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloroacetyl)-1,3-benzothiazole-2-carbohydrazide is sourced from PubChem (CID 166414706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).