(6-methoxy-1,3-benzothiazol-2-yl)-phenylmethanamine

C15H14N2OS — CID 79510887

IUPAC(6-methoxy-1,3-benzothiazol-2-yl)-phenylmethanamine
SMILESCOc1ccc2nc(C(N)c3ccccc3)sc2c1
InChIInChI=1S/C15H14N2OS/c1-18-11-7-8-12-13(9-11)19-15(17-12)14(16)10-5-3-2-4-6-10/h2-9,14H,16H2,1H3
InChIKeyQTBJXAKFPINONI-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.35
Rot. Bonds3

About (6-methoxy-1,3-benzothiazol-2-yl)-phenylmethanamine

(6-methoxy-1,3-benzothiazol-2-yl)-phenylmethanamine (PubChem CID 79510887) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is (6-methoxy-1,3-benzothiazol-2-yl)-phenylmethanamine.

Molecular Properties

Compound Name(6-methoxy-1,3-benzothiazol-2-yl)-phenylmethanamine
PubChem CID79510887
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name(6-methoxy-1,3-benzothiazol-2-yl)-phenylmethanamine
SMILESCOc1ccc2nc(C(N)c3ccccc3)sc2c1
InChIInChI=1S/C15H14N2OS/c1-18-11-7-8-12-13(9-11)19-15(17-12)14(16)10-5-3-2-4-6-10/h2-9,14H,16H2,1H3
InChIKeyQTBJXAKFPINONI-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylethanamine
CID 79511944
1-(6-methoxy-1,3-benzothiazol-2-yl)ethane-1,2-diamine
CID 18449216
(6-methoxy-1,3-benzothiazol-2-yl)-(3-methoxyphenyl)methanol
CID 66584990
4-[(S)-amino(phenyl)methyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 110876919
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 79512099
(5-methyl-1,3-benzothiazol-2-yl)-phenylmethanamine
CID 43305034
CID 158604119
CID 158604119
(2-bromo-4-methoxyphenyl)-phenylmethanamine
CID 60785941
2-[(E)-2-bromoethenyl]-6-methoxy-1,3-benzothiazole
CID 154691622
ethyl 3,4-dihydroxy-4-(6-methoxy-1,3-benzothiazol-2-yl)butanoate
CID 171898169
1,3-benzothiazol-2-yl-(4-methoxyphenyl)methanol
CID 647548
6-methoxy-2-[(6-methoxy-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
CID 20537765

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1,3-benzothiazol-2-yl)-phenylmethanamine?
The IUPAC name of (6-methoxy-1,3-benzothiazol-2-yl)-phenylmethanamine (CID 79510887) is (6-methoxy-1,3-benzothiazol-2-yl)-phenylmethanamine.
What is the SMILES notation for (6-methoxy-1,3-benzothiazol-2-yl)-phenylmethanamine?
The canonical SMILES for (6-methoxy-1,3-benzothiazol-2-yl)-phenylmethanamine is COc1ccc2nc(C(N)c3ccccc3)sc2c1.
What is the InChIKey of (6-methoxy-1,3-benzothiazol-2-yl)-phenylmethanamine?
The InChIKey is QTBJXAKFPINONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-18-11-7-8-12-13(9-11)19-15(17-12)14(16)10-5-3-2-4-6-10/h2-9,14H,16H2,1H3.
What are the key properties of (6-methoxy-1,3-benzothiazol-2-yl)-phenylmethanamine?
(6-methoxy-1,3-benzothiazol-2-yl)-phenylmethanamine has a molecular weight of 270.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1,3-benzothiazol-2-yl)-phenylmethanamine is sourced from PubChem (CID 79510887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).