2-(1,3-benzothiazol-2-ylmethoxy)-3-methylaniline

C15H14N2OS — CID 104630915

IUPAC2-(1,3-benzothiazol-2-ylmethoxy)-3-methylaniline
SMILESCc1cccc(N)c1OCc1nc2ccccc2s1
InChIInChI=1S/C15H14N2OS/c1-10-5-4-6-11(16)15(10)18-9-14-17-12-7-2-3-8-13(12)19-14/h2-8H,9,16H2,1H3
InChIKeyCUUQMWUSMMOCPN-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.77
Rot. Bonds3

About 2-(1,3-benzothiazol-2-ylmethoxy)-3-methylaniline

2-(1,3-benzothiazol-2-ylmethoxy)-3-methylaniline (PubChem CID 104630915) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethoxy)-3-methylaniline.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethoxy)-3-methylaniline
PubChem CID104630915
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name2-(1,3-benzothiazol-2-ylmethoxy)-3-methylaniline
SMILESCc1cccc(N)c1OCc1nc2ccccc2s1
InChIInChI=1S/C15H14N2OS/c1-10-5-4-6-11(16)15(10)18-9-14-17-12-7-2-3-8-13(12)19-14/h2-8H,9,16H2,1H3
InChIKeyCUUQMWUSMMOCPN-UHFFFAOYSA-N
XLogP3.77
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(1,3-benzothiazol-2-ylmethoxy)-3,5-dichloroaniline
CID 104630885
4-(1,3-benzothiazol-2-ylmethoxy)-3,5-dimethylbenzonitrile
CID 115649817
2-(1,3-benzothiazol-2-ylmethoxy)-3-bromo-5-chloroaniline
CID 104630888
2-[[4-(6-methyl-2-pyridinyl)phenoxy]methyl]-1,3-benzothiazole
CID 139801734
1-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine
CID 104630920
[2-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol
CID 104631328
methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2,3,5-trimethylphenyl]carbamate
CID 18932215
2-[[4-(bromomethyl)-2,6-difluorophenoxy]methyl]-1,3-benzothiazole
CID 104631391
1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine
CID 104630917
2-(1,3-benzothiazol-2-ylmethyl)aniline
CID 62534023
2-[(3-iodophenoxy)methyl]-1,3-benzothiazole
CID 113218110
[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]hydrazine
CID 139801727

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-3-methylaniline?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-3-methylaniline (CID 104630915) is 2-(1,3-benzothiazol-2-ylmethoxy)-3-methylaniline.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethoxy)-3-methylaniline?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethoxy)-3-methylaniline is Cc1cccc(N)c1OCc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethoxy)-3-methylaniline?
The InChIKey is CUUQMWUSMMOCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-10-5-4-6-11(16)15(10)18-9-14-17-12-7-2-3-8-13(12)19-14/h2-8H,9,16H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-ylmethoxy)-3-methylaniline?
2-(1,3-benzothiazol-2-ylmethoxy)-3-methylaniline has a molecular weight of 270.36 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethoxy)-3-methylaniline is sourced from PubChem (CID 104630915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).