1-(1,3-benzothiazol-2-yl)-N-tert-butylmethanimine

C12H14N2S — CID 102287449

IUPAC1-(1,3-benzothiazol-2-yl)-N-tert-butylmethanimine
SMILESCC(C)(C)/N=C/c1nc2ccccc2s1
InChIInChI=1S/C12H14N2S/c1-12(2,3)13-8-11-14-9-6-4-5-7-10(9)15-11/h4-8H,1-3H3/b13-8+
InChIKeySDSABPZOPDOYQZ-MDWZMJQESA-N
MW218.33 g/mol
LogP3.51
Rot. Bonds1

About 1-(1,3-benzothiazol-2-yl)-N-tert-butylmethanimine

1-(1,3-benzothiazol-2-yl)-N-tert-butylmethanimine (PubChem CID 102287449) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-tert-butylmethanimine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-tert-butylmethanimine
PubChem CID102287449
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-tert-butylmethanimine
SMILESCC(C)(C)/N=C/c1nc2ccccc2s1
InChIInChI=1S/C12H14N2S/c1-12(2,3)13-8-11-14-9-6-4-5-7-10(9)15-11/h4-8H,1-3H3/b13-8+
InChIKeySDSABPZOPDOYQZ-MDWZMJQESA-N
XLogP3.51
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(NZ)-N-(1,3-benzothiazol-2-ylmethylidene)hydroxylamine
CID 135703658
2-ethenyl-1,3-benzothiazole;hydroiodide
CID 173330780
2-[(1E)-buta-1,3-dienyl]-1,3-benzothiazole
CID 21425799
2-[(E)-2-methoxyethenyl]-1,3-benzothiazole
CID 90475649
2-[2-(1,3-benzothiazol-2-yl)propan-2-yl]-1,3-benzothiazole
CID 11781873
2-(2,2-dibromoethenyl)-1,3-benzothiazole
CID 139773786
2-[(E)-2-(4-ethenylphenyl)ethenyl]-1,3-benzothiazole
CID 20727324
3-(1,3-benzothiazol-2-yl)-2,2-dimethylpropanenitrile
CID 104632298
2-[2-(3,4,5-trimethylthiophen-2-yl)ethenyl]-1,3-benzothiazole
CID 72648028
3-(1,3-benzothiazol-2-yl)-2,2-dimethylpropanal
CID 130698450
(E)-7-(1,3-benzothiazol-2-yl)-2,2-dimethylhept-6-en-3-one
CID 129059805
(1E,5Z)-1-(1,3-benzothiazol-2-yl)-4-methylhepta-1,5-dien-4-ol
CID 143177403

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-tert-butylmethanimine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-tert-butylmethanimine (CID 102287449) is 1-(1,3-benzothiazol-2-yl)-N-tert-butylmethanimine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-tert-butylmethanimine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-tert-butylmethanimine is CC(C)(C)/N=C/c1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-tert-butylmethanimine?
The InChIKey is SDSABPZOPDOYQZ-MDWZMJQESA-N. The full InChI is InChI=1S/C12H14N2S/c1-12(2,3)13-8-11-14-9-6-4-5-7-10(9)15-11/h4-8H,1-3H3/b13-8+.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-tert-butylmethanimine?
1-(1,3-benzothiazol-2-yl)-N-tert-butylmethanimine has a molecular weight of 218.33 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-N-tert-butylmethanimine is sourced from PubChem (CID 102287449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).