2-(1,3-benzothiazol-2-yl)-N'-hydroxyethanimidamide

C9H9N3OS — CID 2807743

IUPAC2-(1,3-benzothiazol-2-yl)-N'-hydroxyethanimidamide
SMILESNC(Cc1nc2ccccc2s1)=NO
InChIInChI=1S/C9H9N3OS/c10-8(12-13)5-9-11-6-3-1-2-4-7(6)14-9/h1-4,13H,5H2,(H2,10,12)
InChIKeyYKIOTVXPLPMYSQ-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.59
Rot. Bonds2

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

2-(1,3-benzothiazol-2-yl)-N'-hydroxyethanimidamide (PubChem CID 2807743) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-N'-hydroxyethanimidamide
PubChem CID2807743
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name2-(1,3-benzothiazol-2-yl)-N'-hydroxyethanimidamide
SMILESNC(Cc1nc2ccccc2s1)=NO
InChIInChI=1S/C9H9N3OS/c10-8(12-13)5-9-11-6-3-1-2-4-7(6)14-9/h1-4,13H,5H2,(H2,10,12)
InChIKeyYKIOTVXPLPMYSQ-UHFFFAOYSA-N
XLogP1.59
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(1,3-benzothiazol-2-yl)-N'-hydroxyethanimidamide 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

(2Z)-3-(1,3-benzothiazol-2-yl)-2-hydroxyiminopropanoic acid
CID 134112094
N'-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)ethanimidamide
CID 73448477
1-(1,3-benzothiazol-2-yl)-3-hydroxybutan-2-one
CID 103451335
2-(1,3-benzothiazol-2-yl)-N,N-dimethylacetamide
CID 66554003
2-ethyl-1,3-benzothiazole
CID 123878265
2-(1,3-benzothiazol-2-ylmethyl)aniline
CID 62534023
1-(1,3-benzothiazol-2-ylmethyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 104631136
2-[6-(1,3-benzothiazol-2-yl)hexyl]-1,3-benzothiazole
CID 139075943
3-amino-1-(1,3-benzothiazol-2-yl)-4,4,4-trifluoro-3-methylbutan-2-one
CID 116593055
2-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(diaminomethylidene)guanidine;hydrochloride
CID 70295209
1-(1,3-benzothiazol-2-yl)-4,4-difluorobutan-2-one
CID 147790284
2-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone
CID 79826120

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-N'-hydroxyethanimidamide (CID 2807743) is 2-(1,3-benzothiazol-2-yl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-N'-hydroxyethanimidamide is NC(Cc1nc2ccccc2s1)=NO.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-N'-hydroxyethanimidamide?
The InChIKey is YKIOTVXPLPMYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c10-8(12-13)5-9-11-6-3-1-2-4-7(6)14-9/h1-4,13H,5H2,(H2,10,12).
What are the key properties of 2-(1,3-benzothiazol-2-yl)-N'-hydroxyethanimidamide?
2-(1,3-benzothiazol-2-yl)-N'-hydroxyethanimidamide has a molecular weight of 207.26 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 2807743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).