2-(6-phenyl-1,3-benzothiazol-2-yl)acetohydrazide

C15H13N3OS — CID 58470188

IUPAC2-(6-phenyl-1,3-benzothiazol-2-yl)acetohydrazide
SMILESNNC(=O)Cc1nc2ccc(-c3ccccc3)cc2s1
InChIInChI=1S/C15H13N3OS/c16-18-14(19)9-15-17-12-7-6-11(8-13(12)20-15)10-4-2-1-3-5-10/h1-8H,9,16H2,(H,18,19)
InChIKeyCWEXQLSWIJAASS-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.50
Rot. Bonds3

About 2-(6-phenyl-1,3-benzothiazol-2-yl)acetohydrazide

2-(6-phenyl-1,3-benzothiazol-2-yl)acetohydrazide (PubChem CID 58470188) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-(6-phenyl-1,3-benzothiazol-2-yl)acetohydrazide.

Molecular Properties

Compound Name2-(6-phenyl-1,3-benzothiazol-2-yl)acetohydrazide
PubChem CID58470188
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-(6-phenyl-1,3-benzothiazol-2-yl)acetohydrazide
SMILESNNC(=O)Cc1nc2ccc(-c3ccccc3)cc2s1
InChIInChI=1S/C15H13N3OS/c16-18-14(19)9-15-17-12-7-6-11(8-13(12)20-15)10-4-2-1-3-5-10/h1-8H,9,16H2,(H,18,19)
InChIKeyCWEXQLSWIJAASS-UHFFFAOYSA-N
XLogP2.50
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(6-phenyl-1,3-benzothiazol-2-yl)acetohydrazide 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-(2-hydroxy-2-methylpropyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 58470271
N-(4-oxobutyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 88894975
2-(6-phenyl-1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 58470043
N-(3-methoxy-2-oxopropyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 58470073
N-[(4-methoxyphenyl)methyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 58470194
2-(6-phenyl-1,3-benzothiazol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 58470275
N-[2-(but-3-ynylamino)-2-oxoethyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 88895122
1-(1,3-dihydroisoindol-2-yl)-2-(6-phenyl-1,3-benzothiazol-2-yl)ethanone
CID 58470633
N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 58470038
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 58470353
N-(5-methylsulfonyl-2-oxopentyl)-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 58470501
2-[3-[[[2-(6-phenyl-1,3-benzothiazol-2-yl)acetyl]amino]methyl]phenoxy]acetic acid
CID 58470538

Frequently Asked Questions

What is the IUPAC name of 2-(6-phenyl-1,3-benzothiazol-2-yl)acetohydrazide?
The IUPAC name of 2-(6-phenyl-1,3-benzothiazol-2-yl)acetohydrazide (CID 58470188) is 2-(6-phenyl-1,3-benzothiazol-2-yl)acetohydrazide.
What is the SMILES notation for 2-(6-phenyl-1,3-benzothiazol-2-yl)acetohydrazide?
The canonical SMILES for 2-(6-phenyl-1,3-benzothiazol-2-yl)acetohydrazide is NNC(=O)Cc1nc2ccc(-c3ccccc3)cc2s1.
What is the InChIKey of 2-(6-phenyl-1,3-benzothiazol-2-yl)acetohydrazide?
The InChIKey is CWEXQLSWIJAASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c16-18-14(19)9-15-17-12-7-6-11(8-13(12)20-15)10-4-2-1-3-5-10/h1-8H,9,16H2,(H,18,19).
What are the key properties of 2-(6-phenyl-1,3-benzothiazol-2-yl)acetohydrazide?
2-(6-phenyl-1,3-benzothiazol-2-yl)acetohydrazide has a molecular weight of 283.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenyl-1,3-benzothiazol-2-yl)acetohydrazide is sourced from PubChem (CID 58470188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).