3-(1,3-benzothiazol-2-ylhydrazinylidene)propane-1,2-diol

C10H11N3O2S — CID 2849227

IUPAC3-(1,3-benzothiazol-2-ylhydrazinylidene)propane-1,2-diol
SMILESOCC(O)C=NNc1nc2ccccc2s1
InChIInChI=1S/C10H11N3O2S/c14-6-7(15)5-11-13-10-12-8-3-1-2-4-9(8)16-10/h1-5,7,14-15H,6H2,(H,12,13)
InChIKeyNDBAENCTDXZASY-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.05
Rot. Bonds4

About 3-(1,3-benzothiazol-2-ylhydrazinylidene)propane-1,2-diol

3-(1,3-benzothiazol-2-ylhydrazinylidene)propane-1,2-diol (PubChem CID 2849227) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-ylhydrazinylidene)propane-1,2-diol.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-ylhydrazinylidene)propane-1,2-diol
PubChem CID2849227
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name3-(1,3-benzothiazol-2-ylhydrazinylidene)propane-1,2-diol
SMILESOCC(O)C=NNc1nc2ccccc2s1
InChIInChI=1S/C10H11N3O2S/c14-6-7(15)5-11-13-10-12-8-3-1-2-4-9(8)16-10/h1-5,7,14-15H,6H2,(H,12,13)
InChIKeyNDBAENCTDXZASY-UHFFFAOYSA-N
XLogP1.05
TPSA77.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-(1,3-benzothiazol-2-ylhydrazinylidene)-2,2-dimethylpropan-1-ol
CID 5409310
bis(2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenol);cadmium
CID 135466896
N-[(E)-pyridin-4-ylmethylideneamino]-1,3-benzothiazol-2-amine
CID 6436791
N-[(2-bromophenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 4649808
4-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2,6-dibromobenzene-1,3-diol
CID 2848685
2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]benzene-1,4-diol
CID 136601880
N-[(E)-octadecylideneamino]-1,3-benzothiazol-2-amine
CID 88711623
2-(1,3-benzothiazol-2-ylamino)-3-methylbutan-1-ol
CID 79246244
4-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]benzoic acid
CID 3146680
4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2,6-dichlorophenol
CID 135630268
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-1,3-benzothiazol-2-amine
CID 1396962
N-(1,3-dihydroinden-2-ylideneamino)-1,3-benzothiazol-2-amine
CID 9017158

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-ylhydrazinylidene)propane-1,2-diol?
The IUPAC name of 3-(1,3-benzothiazol-2-ylhydrazinylidene)propane-1,2-diol (CID 2849227) is 3-(1,3-benzothiazol-2-ylhydrazinylidene)propane-1,2-diol.
What is the SMILES notation for 3-(1,3-benzothiazol-2-ylhydrazinylidene)propane-1,2-diol?
The canonical SMILES for 3-(1,3-benzothiazol-2-ylhydrazinylidene)propane-1,2-diol is OCC(O)C=NNc1nc2ccccc2s1.
What is the InChIKey of 3-(1,3-benzothiazol-2-ylhydrazinylidene)propane-1,2-diol?
The InChIKey is NDBAENCTDXZASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c14-6-7(15)5-11-13-10-12-8-3-1-2-4-9(8)16-10/h1-5,7,14-15H,6H2,(H,12,13).
What are the key properties of 3-(1,3-benzothiazol-2-ylhydrazinylidene)propane-1,2-diol?
3-(1,3-benzothiazol-2-ylhydrazinylidene)propane-1,2-diol has a molecular weight of 237.28 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-ylhydrazinylidene)propane-1,2-diol is sourced from PubChem (CID 2849227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).