2-[(2E)-2-[2-(1,3-benzothiazol-2-yl)-1-phenylethylidene]hydrazinyl]ethanol

C17H17N3OS — CID 134934482

IUPAC2-[(2E)-2-[2-(1,3-benzothiazol-2-yl)-1-phenylethylidene]hydrazinyl]ethanol
SMILESOCCN/N=C(\Cc1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C17H17N3OS/c21-11-10-18-20-15(13-6-2-1-3-7-13)12-17-19-14-8-4-5-9-16(14)22-17/h1-9,18,21H,10-12H2/b20-15+
InChIKeyPBJGQHYAQLUFMU-HMMYKYKNSA-N
MW311.41 g/mol
LogP2.83
Rot. Bonds6

About 2-[(2E)-2-[2-(1,3-benzothiazol-2-yl)-1-phenylethylidene]hydrazinyl]ethanol

2-[(2E)-2-[2-(1,3-benzothiazol-2-yl)-1-phenylethylidene]hydrazinyl]ethanol (PubChem CID 134934482) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[(2E)-2-[2-(1,3-benzothiazol-2-yl)-1-phenylethylidene]hydrazinyl]ethanol.

Molecular Properties

Compound Name2-[(2E)-2-[2-(1,3-benzothiazol-2-yl)-1-phenylethylidene]hydrazinyl]ethanol
PubChem CID134934482
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name2-[(2E)-2-[2-(1,3-benzothiazol-2-yl)-1-phenylethylidene]hydrazinyl]ethanol
SMILESOCCN/N=C(\Cc1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C17H17N3OS/c21-11-10-18-20-15(13-6-2-1-3-7-13)12-17-19-14-8-4-5-9-16(14)22-17/h1-9,18,21H,10-12H2/b20-15+
InChIKeyPBJGQHYAQLUFMU-HMMYKYKNSA-N
XLogP2.83
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-1,3-benzothiazol-2-amine
CID 3489613
2-(1,3-benzothiazol-2-yl)-N'-hydroxyethanimidamide
CID 2807743
(2Z)-3-(1,3-benzothiazol-2-yl)-2-hydroxyiminopropanoic acid
CID 134112094
4-(1,3-benzothiazol-2-ylmethylamino)butan-1-ol
CID 83961861
4-[N-(1,3-benzothiazol-2-ylamino)-C-ethylcarbonimidoyl]phenol
CID 3270340
2-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanol
CID 107713086
3-(1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)-2-methyl-2-phenylpropanamide
CID 110883737
3-(1,3-benzothiazol-2-yl)-2-phenylpropan-1-ol
CID 104632377
2-(1,3-benzothiazol-2-yl)-N,N-dimethylacetamide
CID 66554003
1-(1,3-benzothiazol-2-yl)-3-hydroxybutan-2-one
CID 103451335
N'-acetyl-2-(1,3-benzothiazol-2-yl)acetohydrazide
CID 10634351
2-ethyl-1,3-benzothiazole
CID 123878265

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[2-(1,3-benzothiazol-2-yl)-1-phenylethylidene]hydrazinyl]ethanol?
The IUPAC name of 2-[(2E)-2-[2-(1,3-benzothiazol-2-yl)-1-phenylethylidene]hydrazinyl]ethanol (CID 134934482) is 2-[(2E)-2-[2-(1,3-benzothiazol-2-yl)-1-phenylethylidene]hydrazinyl]ethanol.
What is the SMILES notation for 2-[(2E)-2-[2-(1,3-benzothiazol-2-yl)-1-phenylethylidene]hydrazinyl]ethanol?
The canonical SMILES for 2-[(2E)-2-[2-(1,3-benzothiazol-2-yl)-1-phenylethylidene]hydrazinyl]ethanol is OCCN/N=C(\Cc1nc2ccccc2s1)c1ccccc1.
What is the InChIKey of 2-[(2E)-2-[2-(1,3-benzothiazol-2-yl)-1-phenylethylidene]hydrazinyl]ethanol?
The InChIKey is PBJGQHYAQLUFMU-HMMYKYKNSA-N. The full InChI is InChI=1S/C17H17N3OS/c21-11-10-18-20-15(13-6-2-1-3-7-13)12-17-19-14-8-4-5-9-16(14)22-17/h1-9,18,21H,10-12H2/b20-15+.
What are the key properties of 2-[(2E)-2-[2-(1,3-benzothiazol-2-yl)-1-phenylethylidene]hydrazinyl]ethanol?
2-[(2E)-2-[2-(1,3-benzothiazol-2-yl)-1-phenylethylidene]hydrazinyl]ethanol has a molecular weight of 311.41 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[2-(1,3-benzothiazol-2-yl)-1-phenylethylidene]hydrazinyl]ethanol is sourced from PubChem (CID 134934482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).