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

C16H16N2OS — CID 79511944

IUPAC1-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylethanamine
SMILESCOc1ccc2nc(C(N)Cc3ccccc3)sc2c1
InChIInChI=1S/C16H16N2OS/c1-19-12-7-8-14-15(10-12)20-16(18-14)13(17)9-11-5-3-2-4-6-11/h2-8,10,13H,9,17H2,1H3
InChIKeyMFVDZYCDPQCZET-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.55
Rot. Bonds4

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

1-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylethanamine (PubChem CID 79511944) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylethanamine.

Molecular Properties

Compound Name1-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylethanamine
PubChem CID79511944
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name1-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylethanamine
SMILESCOc1ccc2nc(C(N)Cc3ccccc3)sc2c1
InChIInChI=1S/C16H16N2OS/c1-19-12-7-8-14-15(10-12)20-16(18-14)13(17)9-11-5-3-2-4-6-11/h2-8,10,13H,9,17H2,1H3
InChIKeyMFVDZYCDPQCZET-UHFFFAOYSA-N
XLogP3.55
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxy-1,3-benzothiazol-2-yl)ethane-1,2-diamine
CID 18449216
(6-methoxy-1,3-benzothiazol-2-yl)-phenylmethanamine
CID 79510887
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 79512099
(1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethanamine
CID 146479702
1-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)ethanamine
CID 174442420
(6-methoxy-1,3-benzothiazol-2-yl)-(3-methoxyphenyl)methanol
CID 66584990
1-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)ethanamine
CID 43314644
2-amino-2-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol
CID 79518392
1-(1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 43314632
1-(6-chloro-1,3-benzothiazol-2-yl)-3-phenylpropan-1-amine
CID 114917838
2-(3-but-1-ynylphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-N-phenylsulfanylethanamine
CID 168913294
1-(1,3-benzothiazol-2-yl)-2-[4-(difluoromethyl)phenyl]ethanamine
CID 115524719

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylethanamine?
The IUPAC name of 1-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylethanamine (CID 79511944) is 1-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylethanamine.
What is the SMILES notation for 1-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylethanamine?
The canonical SMILES for 1-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylethanamine is COc1ccc2nc(C(N)Cc3ccccc3)sc2c1.
What is the InChIKey of 1-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylethanamine?
The InChIKey is MFVDZYCDPQCZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-19-12-7-8-14-15(10-12)20-16(18-14)13(17)9-11-5-3-2-4-6-11/h2-8,10,13H,9,17H2,1H3.
What are the key properties of 1-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylethanamine?
1-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylethanamine has a molecular weight of 284.38 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylethanamine is sourced from PubChem (CID 79511944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).