N-(4-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine

C15H14N2OS — CID 838384

IUPACN-(4-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine
SMILESCOc1ccc(/N=c2\sc3ccccc3n2C)cc1
InChIInChI=1S/C15H14N2OS/c1-17-13-5-3-4-6-14(13)19-15(17)16-11-7-9-12(18-2)10-8-11/h3-10H,1-2H3/b16-15-
InChIKeyQXANLIAKHBUKKI-NXVVXOECSA-N
MW270.36 g/mol
LogP3.48
Rot. Bonds2

About N-(4-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine

N-(4-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine (PubChem CID 838384) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine
PubChem CID838384
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-(4-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine
SMILESCOc1ccc(/N=c2\sc3ccccc3n2C)cc1
InChIInChI=1S/C15H14N2OS/c1-17-13-5-3-4-6-14(13)19-15(17)16-11-7-9-12(18-2)10-8-11/h3-10H,1-2H3/b16-15-
InChIKeyQXANLIAKHBUKKI-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-(4-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine?
The IUPAC name of N-(4-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine (CID 838384) is N-(4-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine.
What is the SMILES notation for N-(4-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine?
The canonical SMILES for N-(4-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine is COc1ccc(/N=c2\sc3ccccc3n2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine?
The InChIKey is QXANLIAKHBUKKI-NXVVXOECSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-17-13-5-3-4-6-14(13)19-15(17)16-11-7-9-12(18-2)10-8-11/h3-10H,1-2H3/b16-15-.
What are the key properties of N-(4-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine?
N-(4-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-(4-methoxyphenyl)-3-methyl-1,3-benzothiazol-2-imine is sourced from PubChem (CID 838384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).