3-benzyl-1,3-benzothiazol-2-imine

C14H12N2S — CID 677566

IUPAC3-benzyl-1,3-benzothiazol-2-imine
SMILES[H]/N=c1\sc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C14H12N2S/c15-14-16(10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14/h1-9,15H,10H2/b15-14-
InChIKeyHEHNGGKJGNBCKU-PFONDFGASA-N
MW240.33 g/mol
LogP3.23
Rot. Bonds2

About 3-benzyl-1,3-benzothiazol-2-imine

3-benzyl-1,3-benzothiazol-2-imine (PubChem CID 677566) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-benzyl-1,3-benzothiazol-2-imine.

Molecular Properties

Compound Name3-benzyl-1,3-benzothiazol-2-imine
PubChem CID677566
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name3-benzyl-1,3-benzothiazol-2-imine
SMILES[H]/N=c1\sc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C14H12N2S/c15-14-16(10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14/h1-9,15H,10H2/b15-14-
InChIKeyHEHNGGKJGNBCKU-PFONDFGASA-N
XLogP3.23
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Benzyl-2(3H)-benzothiazolone
CID 853901
1'-benzyl-3H-spiro[1,3-benzothiazole-2,4'-piperidine]
CID 2814800
3-Methyl-1,3-benzothiazol-2(3H)-imine
CID 84642
(2S)-2-Phenyl-2,3-dihydroimidazo(2,1-b)(1,3)benzothiazole
CID 17747785
[3-Phenyl-3H-benzothiazol-(2Z)-ylidene]-hydrazine
CID 56642950
RP-66055
CID 44277787
(S)-2-Phenyl-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidine
CID 24827682
2(3H)-Benzothiazolimine, 3-phenyl-
CID 736970
N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)aniline
CID 838370
2-(2-Imino-6-methyl-1,3-benzothiazol-3-yl)ethanol
CID 870018
e-3-(2-Phenylvinyl)-2-benzothiazolinone
CID 5333073
3-(Prop-2-yn-1-yl)-2,3-dihydro-1,3-benzothiazol-2-imine
CID 11601451

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1,3-benzothiazol-2-imine?
The IUPAC name of 3-benzyl-1,3-benzothiazol-2-imine (CID 677566) is 3-benzyl-1,3-benzothiazol-2-imine.
What is the SMILES notation for 3-benzyl-1,3-benzothiazol-2-imine?
The canonical SMILES for 3-benzyl-1,3-benzothiazol-2-imine is [H]/N=c1\sc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-1,3-benzothiazol-2-imine?
The InChIKey is HEHNGGKJGNBCKU-PFONDFGASA-N. The full InChI is InChI=1S/C14H12N2S/c15-14-16(10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14/h1-9,15H,10H2/b15-14-.
What are the key properties of 3-benzyl-1,3-benzothiazol-2-imine?
3-benzyl-1,3-benzothiazol-2-imine has a molecular weight of 240.33 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1,3-benzothiazol-2-imine is sourced from PubChem (CID 677566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).