N'-acetyl-2-(1,3-benzothiazol-2-yl)acetohydrazide

C11H11N3O2S — CID 10634351

IUPACN'-acetyl-2-(1,3-benzothiazol-2-yl)acetohydrazide
SMILESCC(=O)NNC(=O)Cc1nc2ccccc2s1
InChIInChI=1S/C11H11N3O2S/c1-7(15)13-14-10(16)6-11-12-8-4-2-3-5-9(8)17-11/h2-5H,6H2,1H3,(H,13,15)(H,14,16)
InChIKeyINOYWNGCFYNCSF-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.01
Rot. Bonds2

About N'-acetyl-2-(1,3-benzothiazol-2-yl)acetohydrazide

N'-acetyl-2-(1,3-benzothiazol-2-yl)acetohydrazide (PubChem CID 10634351) has the molecular formula C11H11N3O2S and a molecular weight of 249.29 g/mol. Its IUPAC name is N'-acetyl-2-(1,3-benzothiazol-2-yl)acetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-(1,3-benzothiazol-2-yl)acetohydrazide
PubChem CID10634351
Molecular FormulaC11H11N3O2S
Molecular Weight249.29 g/mol
Exact Mass249.06
IUPAC NameN'-acetyl-2-(1,3-benzothiazol-2-yl)acetohydrazide
SMILESCC(=O)NNC(=O)Cc1nc2ccccc2s1
InChIInChI=1S/C11H11N3O2S/c1-7(15)13-14-10(16)6-11-12-8-4-2-3-5-9(8)17-11/h2-5H,6H2,1H3,(H,13,15)(H,14,16)
InChIKeyINOYWNGCFYNCSF-UHFFFAOYSA-N
XLogP1.01
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-benzothiazol-2-yl)-N,N-dimethylacetamide
CID 66554003
1-(1,3-benzothiazol-2-yl)-3-hydroxybutan-2-one
CID 103451335
N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-ethylphenyl]acetamide
CID 18932135
N-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
CID 7506157
1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-propan-2-ylthiourea
CID 7978198
methyl 2-[[2-(1,3-benzothiazol-2-yl)acetyl]amino]-3-phenylpropanoate
CID 58470418
N-(1,3-benzothiazol-2-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 60730154
N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-2-methylfuran-3-carbohydrazide
CID 9472811
N-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
CID 7698043
1-(1,3-benzothiazol-2-yl)-4,4-difluorobutan-2-one
CID 147790284
(2Z)-3-(1,3-benzothiazol-2-yl)-2-hydroxyiminopropanoic acid
CID 134112094
1-(1,3-benzothiazol-2-ylmethyl)-3-methylurea
CID 23548661

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-(1,3-benzothiazol-2-yl)acetohydrazide?
The IUPAC name of N'-acetyl-2-(1,3-benzothiazol-2-yl)acetohydrazide (CID 10634351) is N'-acetyl-2-(1,3-benzothiazol-2-yl)acetohydrazide.
What is the SMILES notation for N'-acetyl-2-(1,3-benzothiazol-2-yl)acetohydrazide?
The canonical SMILES for N'-acetyl-2-(1,3-benzothiazol-2-yl)acetohydrazide is CC(=O)NNC(=O)Cc1nc2ccccc2s1.
What is the InChIKey of N'-acetyl-2-(1,3-benzothiazol-2-yl)acetohydrazide?
The InChIKey is INOYWNGCFYNCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7(15)13-14-10(16)6-11-12-8-4-2-3-5-9(8)17-11/h2-5H,6H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N'-acetyl-2-(1,3-benzothiazol-2-yl)acetohydrazide?
N'-acetyl-2-(1,3-benzothiazol-2-yl)acetohydrazide has a molecular weight of 249.29 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-(1,3-benzothiazol-2-yl)acetohydrazide is sourced from PubChem (CID 10634351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).