N-benzyl-5-methoxy-1,3-benzothiazol-2-amine

C15H14N2OS — CID 7208982

IUPACN-benzyl-5-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2sc(NCc3ccccc3)nc2c1
InChIInChI=1S/C15H14N2OS/c1-18-12-7-8-14-13(9-12)17-15(19-14)16-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17)
InChIKeyZEIIQWUVDVGXOK-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.92
Rot. Bonds4

About N-benzyl-5-methoxy-1,3-benzothiazol-2-amine

N-benzyl-5-methoxy-1,3-benzothiazol-2-amine (PubChem CID 7208982) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-benzyl-5-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-5-methoxy-1,3-benzothiazol-2-amine
PubChem CID7208982
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-benzyl-5-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2sc(NCc3ccccc3)nc2c1
InChIInChI=1S/C15H14N2OS/c1-18-12-7-8-14-13(9-12)17-15(19-14)16-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17)
InChIKeyZEIIQWUVDVGXOK-UHFFFAOYSA-N
XLogP3.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 102448175
5-methoxy-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 42281697
5-methoxy-N-prop-2-ynyl-1,3-benzothiazol-2-amine
CID 45077219
N-benzyl-1,3-benzothiazol-2-amine
CID 617555
6-fluoro-N-[(3-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine
CID 79143476
5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7489943
5-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7513043
N,6-dibenzyl-1,3-benzothiazol-2-amine
CID 82548710
2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine
CID 46850885
5-benzyl-4-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 72707053
N-benzyl-4,6-dimethyl-1,3-benzothiazol-2-amine
CID 2376092
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,3-benzothiazol-2-amine
CID 133390194

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-benzyl-5-methoxy-1,3-benzothiazol-2-amine (CID 7208982) is N-benzyl-5-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-benzyl-5-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-benzyl-5-methoxy-1,3-benzothiazol-2-amine is COc1ccc2sc(NCc3ccccc3)nc2c1.
What is the InChIKey of N-benzyl-5-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is ZEIIQWUVDVGXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-18-12-7-8-14-13(9-12)17-15(19-14)16-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of N-benzyl-5-methoxy-1,3-benzothiazol-2-amine?
N-benzyl-5-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 270.36 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 7208982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).