6-(6-phenylmethoxynaphthalen-2-yl)-1,3-benzothiazol-2-amine

C24H18N2OS — CID 59282886

IUPAC6-(6-phenylmethoxynaphthalen-2-yl)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-c3ccc4cc(OCc5ccccc5)ccc4c3)cc2s1
InChIInChI=1S/C24H18N2OS/c25-24-26-22-11-9-20(14-23(22)28-24)17-6-7-19-13-21(10-8-18(19)12-17)27-15-16-4-2-1-3-5-16/h1-14H,15H2,(H2,25,26)
InChIKeyBCSPGXMVHYIYNU-UHFFFAOYSA-N
MW382.49 g/mol
LogP6.28
Rot. Bonds4

About 6-(6-phenylmethoxynaphthalen-2-yl)-1,3-benzothiazol-2-amine

6-(6-phenylmethoxynaphthalen-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 59282886) has the molecular formula C24H18N2OS and a molecular weight of 382.49 g/mol. Its IUPAC name is 6-(6-phenylmethoxynaphthalen-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(6-phenylmethoxynaphthalen-2-yl)-1,3-benzothiazol-2-amine
PubChem CID59282886
Molecular FormulaC24H18N2OS
Molecular Weight382.49 g/mol
Exact Mass382.11
IUPAC Name6-(6-phenylmethoxynaphthalen-2-yl)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-c3ccc4cc(OCc5ccccc5)ccc4c3)cc2s1
InChIInChI=1S/C24H18N2OS/c25-24-26-22-11-9-20(14-23(22)28-24)17-6-7-19-13-21(10-8-18(19)12-17)27-15-16-4-2-1-3-5-16/h1-14H,15H2,(H2,25,26)
InChIKeyBCSPGXMVHYIYNU-UHFFFAOYSA-N
XLogP6.28
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.49
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-fluorophenyl)methoxy]-1,3-benzothiazol-2-amine
CID 17244955
2-(6-phenylmethoxy-1,3-benzothiazol-2-yl)ethanamine
CID 39106719
N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine
CID 82549612
6-(1-benzylpyrazol-4-yl)-1,3-benzothiazol-2-amine
CID 122184536
5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 116811767
6-pyrimidin-2-yl-1,3-benzothiazol-2-amine
CID 122184482
6-(2-fluoroethoxy)-1,3-benzothiazol-2-amine
CID 59282924
6-phenylmethoxyisoquinolin-3-amine
CID 71742578
2-methyl-6-phenylmethoxyquinoline
CID 82580854
5-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 164893342
2-phenyl-6-phenylmethoxyquinolin-4-amine
CID 113232549
6-[(2-chloro-6-fluorophenyl)methoxy]-1,3-benzothiazol-2-amine
CID 162117514

Frequently Asked Questions

What is the IUPAC name of 6-(6-phenylmethoxynaphthalen-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(6-phenylmethoxynaphthalen-2-yl)-1,3-benzothiazol-2-amine (CID 59282886) is 6-(6-phenylmethoxynaphthalen-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(6-phenylmethoxynaphthalen-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(6-phenylmethoxynaphthalen-2-yl)-1,3-benzothiazol-2-amine is Nc1nc2ccc(-c3ccc4cc(OCc5ccccc5)ccc4c3)cc2s1.
What is the InChIKey of 6-(6-phenylmethoxynaphthalen-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is BCSPGXMVHYIYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2OS/c25-24-26-22-11-9-20(14-23(22)28-24)17-6-7-19-13-21(10-8-18(19)12-17)27-15-16-4-2-1-3-5-16/h1-14H,15H2,(H2,25,26).
What are the key properties of 6-(6-phenylmethoxynaphthalen-2-yl)-1,3-benzothiazol-2-amine?
6-(6-phenylmethoxynaphthalen-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 382.49 g/mol, XLogP of 6.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-phenylmethoxynaphthalen-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 59282886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).