N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine

C15H14N2OS — CID 82549612

IUPACN-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine
SMILESCNc1nc2ccc(OCc3ccccc3)cc2s1
InChIInChI=1S/C15H14N2OS/c1-16-15-17-13-8-7-12(9-14(13)19-15)18-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17)
InChIKeyJNEGLWMNCPPUFH-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.92
Rot. Bonds4

About N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine

N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine (PubChem CID 82549612) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine
PubChem CID82549612
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine
SMILESCNc1nc2ccc(OCc3ccccc3)cc2s1
InChIInChI=1S/C15H14N2OS/c1-16-15-17-13-8-7-12(9-14(13)19-15)18-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17)
InChIKeyJNEGLWMNCPPUFH-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-methyl-6-[(4-methylphenyl)methoxy]-1,3-benzothiazol-2-amine
CID 82548439
2-(6-phenylmethoxy-1,3-benzothiazol-2-yl)ethanamine
CID 39106719
(2S)-2-bromo-N-(6-phenylmethoxy-1,3-benzothiazol-2-yl)hexanamide
CID 28662840
(2R)-2-bromo-N-(6-phenylmethoxy-1,3-benzothiazol-2-yl)hexanamide
CID 28662837
N-(6-chloro-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide
CID 4505668
6-(6-phenylmethoxynaphthalen-2-yl)-1,3-benzothiazol-2-amine
CID 59282886
3-[(2-methyl-1,3-benzothiazol-6-yl)oxymethyl]benzoic acid
CID 82189809
(E)-N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 108767875
2-methoxy-6-phenylmethoxy-1-benzothiophene
CID 174512240
(E)-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 53268809
N-[1-(4-phenylmethoxyphenyl)ethylideneamino]-1,3-benzothiazol-2-amine
CID 3249853
4-[(2-methyl-1,3-benzothiazol-6-yl)oxymethyl]benzoic acid
CID 82189810

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine (CID 82549612) is N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine is CNc1nc2ccc(OCc3ccccc3)cc2s1.
What is the InChIKey of N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine?
The InChIKey is JNEGLWMNCPPUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-16-15-17-13-8-7-12(9-14(13)19-15)18-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine?
N-methyl-6-phenylmethoxy-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-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82549612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).