[3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methanamine

C15H14N2S — CID 116993973

IUPAC[3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methanamine
SMILESCc1nc2ccc(-c3cccc(CN)c3)cc2s1
InChIInChI=1S/C15H14N2S/c1-10-17-14-6-5-13(8-15(14)18-10)12-4-2-3-11(7-12)9-16/h2-8H,9,16H2,1H3
InChIKeyWVGFFVLHEYEAOX-UHFFFAOYSA-N
MW254.36 g/mol
LogP3.73
Rot. Bonds2

About [3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methanamine

[3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methanamine (PubChem CID 116993973) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is [3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methanamine
PubChem CID116993973
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name[3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methanamine
SMILESCc1nc2ccc(-c3cccc(CN)c3)cc2s1
InChIInChI=1S/C15H14N2S/c1-10-17-14-6-5-13(8-15(14)18-10)12-4-2-3-11(7-12)9-16/h2-8H,9,16H2,1H3
InChIKeyWVGFFVLHEYEAOX-UHFFFAOYSA-N
XLogP3.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-methylquinolin-6-yl)phenyl]methanamine
CID 81224971
[3-(4-methylphenyl)phenyl]methanamine
CID 1392243
6-(3-methylphenyl)-1,3-benzothiazol-2-amine
CID 143885488
3-(2-methyl-1,3-benzothiazol-6-yl)propan-1-amine
CID 45097023
3-N-[[3-(2-methyl-1,3-benzothiazol-5-yl)phenyl]methyl]pyridine-2,3-diamine
CID 11688808
[3-(5-methylthiophen-3-yl)phenyl]methanamine
CID 65100908
4-(2-methyl-1,3-benzothiazol-6-yl)-1H-pyrazol-5-amine
CID 117332699
6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole
CID 171981650
[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983736
[3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558534
6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1,3-benzothiazole
CID 153383075
[3-(2-methyl-1H-indol-5-yl)phenyl]methanamine
CID 116996249

Frequently Asked Questions

What is the IUPAC name of [3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methanamine?
The IUPAC name of [3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methanamine (CID 116993973) is [3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methanamine.
What is the SMILES notation for [3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methanamine?
The canonical SMILES for [3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methanamine is Cc1nc2ccc(-c3cccc(CN)c3)cc2s1.
What is the InChIKey of [3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methanamine?
The InChIKey is WVGFFVLHEYEAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-10-17-14-6-5-13(8-15(14)18-10)12-4-2-3-11(7-12)9-16/h2-8H,9,16H2,1H3.
What are the key properties of [3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methanamine?
[3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methanamine has a molecular weight of 254.36 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methanamine is sourced from PubChem (CID 116993973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).