N-(2-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine

C15H14N2OS — CID 838385

IUPACN-(2-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine
SMILESCOc1ccccc1/N=c1\sc2ccccc2n1C
InChIInChI=1S/C15H14N2OS/c1-17-12-8-4-6-10-14(12)19-15(17)16-11-7-3-5-9-13(11)18-2/h3-10H,1-2H3/b16-15-
InChIKeyBGHCZBZSYSWDOU-NXVVXOECSA-N
MW270.36 g/mol
LogP3.48
Rot. Bonds2

About N-(2-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine

N-(2-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine (PubChem CID 838385) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine
PubChem CID838385
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-(2-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine
SMILESCOc1ccccc1/N=c1\sc2ccccc2n1C
InChIInChI=1S/C15H14N2OS/c1-17-12-8-4-6-10-14(12)19-15(17)16-11-7-3-5-9-13(11)18-2/h3-10H,1-2H3/b16-15-
InChIKeyBGHCZBZSYSWDOU-NXVVXOECSA-N
XLogP3.48
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine?
The IUPAC name of N-(2-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine (CID 838385) is N-(2-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine.
What is the SMILES notation for N-(2-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine?
The canonical SMILES for N-(2-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine is COc1ccccc1/N=c1\sc2ccccc2n1C.
What is the InChIKey of N-(2-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine?
The InChIKey is BGHCZBZSYSWDOU-NXVVXOECSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-17-12-8-4-6-10-14(12)19-15(17)16-11-7-3-5-9-13(11)18-2/h3-10H,1-2H3/b16-15-.
What are the key properties of N-(2-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine?
N-(2-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine has a molecular weight of 270.36 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine is sourced from PubChem (CID 838385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).