3-phenyl-1,3-benzothiazol-2-imine

C13H10N2S — CID 736970

IUPAC3-phenyl-1,3-benzothiazol-2-imine
SMILES[H]/N=c1\sc2ccccc2n1-c1ccccc1
InChIInChI=1S/C13H10N2S/c14-13-15(10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-13/h1-9,14H/b14-13-
InChIKeyWMUQKQNUCODDCB-YPKPFQOOSA-N
MW226.30 g/mol
LogP3.17
Rot. Bonds1

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

3-phenyl-1,3-benzothiazol-2-imine (PubChem CID 736970) has the molecular formula C13H10N2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-phenyl-1,3-benzothiazol-2-imine.

Molecular Properties

Compound Name3-phenyl-1,3-benzothiazol-2-imine
PubChem CID736970
Molecular FormulaC13H10N2S
Molecular Weight226.30 g/mol
Exact Mass226.06
IUPAC Name3-phenyl-1,3-benzothiazol-2-imine
SMILES[H]/N=c1\sc2ccccc2n1-c1ccccc1
InChIInChI=1S/C13H10N2S/c14-13-15(10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-13/h1-9,14H/b14-13-
InChIKeyWMUQKQNUCODDCB-YPKPFQOOSA-N
XLogP3.17
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,3-benzothiazol-2-imine?
The IUPAC name of 3-phenyl-1,3-benzothiazol-2-imine (CID 736970) is 3-phenyl-1,3-benzothiazol-2-imine.
What is the SMILES notation for 3-phenyl-1,3-benzothiazol-2-imine?
The canonical SMILES for 3-phenyl-1,3-benzothiazol-2-imine is [H]/N=c1\sc2ccccc2n1-c1ccccc1.
What is the InChIKey of 3-phenyl-1,3-benzothiazol-2-imine?
The InChIKey is WMUQKQNUCODDCB-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H10N2S/c14-13-15(10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-13/h1-9,14H/b14-13-.
What are the key properties of 3-phenyl-1,3-benzothiazol-2-imine?
3-phenyl-1,3-benzothiazol-2-imine has a molecular weight of 226.30 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,3-benzothiazol-2-imine is sourced from PubChem (CID 736970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).