N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-2-amine

C25H19N3OS — CID 6310139

IUPACN-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-2-amine
SMILESC(=N\Nc1nc2ccccc2s1)\c1c(OCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C25H19N3OS/c1-2-8-18(9-3-1)17-29-23-15-14-19-10-4-5-11-20(19)21(23)16-26-28-25-27-22-12-6-7-13-24(22)30-25/h1-16H,17H2,(H,27,28)/b26-16-
InChIKeyWEHAEYQGJLSVRU-QQXSKIMKSA-N
MW409.51 g/mol
LogP6.47
Rot. Bonds6

About N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-2-amine

N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-2-amine (PubChem CID 6310139) has the molecular formula C25H19N3OS and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-2-amine
PubChem CID6310139
Molecular FormulaC25H19N3OS
Molecular Weight409.51 g/mol
Exact Mass409.12
IUPAC NameN-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-2-amine
SMILESC(=N\Nc1nc2ccccc2s1)\c1c(OCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C25H19N3OS/c1-2-8-18(9-3-1)17-29-23-15-14-19-10-4-5-11-20(19)21(23)16-26-28-25-27-22-12-6-7-13-24(22)30-25/h1-16H,17H2,(H,27,28)/b26-16-
InChIKeyWEHAEYQGJLSVRU-QQXSKIMKSA-N
XLogP6.47
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.51
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-2-amine
CID 21370628
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 3117869
4-chloro-N-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]aniline
CID 110840761
N-[(Z)-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 6054128
N-[(2-phenylmethoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 807879
2-(2-phenylmethoxynaphthalen-1-yl)-1,3-benzothiazole
CID 126198654
[1-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]naphthalen-2-yl] 3-nitrobenzoate
CID 6260718
N-[(E)-[3-ethoxy-5-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-1,3-benzothiazol-2-amine
CID 126083223
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine
CID 3136850
2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-ethoxyphenol
CID 135684528
N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 17384637
1-methyl-3-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]thiourea
CID 7346399

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-2-amine (CID 6310139) is N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-2-amine is C(=N\Nc1nc2ccccc2s1)\c1c(OCc2ccccc2)ccc2ccccc12.
What is the InChIKey of N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-2-amine?
The InChIKey is WEHAEYQGJLSVRU-QQXSKIMKSA-N. The full InChI is InChI=1S/C25H19N3OS/c1-2-8-18(9-3-1)17-29-23-15-14-19-10-4-5-11-20(19)21(23)16-26-28-25-27-22-12-6-7-13-24(22)30-25/h1-16H,17H2,(H,27,28)/b26-16-.
What are the key properties of N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-2-amine?
N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-2-amine has a molecular weight of 409.51 g/mol, XLogP of 6.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 6310139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).