2-amino-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide

C22H18N4O2S — CID 110522559

IUPAC2-amino-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
SMILESNc1nc2ccc(C(=O)N/N=C\c3ccccc3OCc3ccccc3)cc2s1
InChIInChI=1S/C22H18N4O2S/c23-22-25-18-11-10-16(12-20(18)29-22)21(27)26-24-13-17-8-4-5-9-19(17)28-14-15-6-2-1-3-7-15/h1-13H,14H2,(H2,23,25)(H,26,27)/b24-13-
InChIKeyFDYIHTDYVRWRPI-CFRMEGHHSA-N
MW402.48 g/mol
LogP4.22
Rot. Bonds6

About 2-amino-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide

2-amino-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide (PubChem CID 110522559) has the molecular formula C22H18N4O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is 2-amino-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
PubChem CID110522559
Molecular FormulaC22H18N4O2S
Molecular Weight402.48 g/mol
Exact Mass402.12
IUPAC Name2-amino-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
SMILESNc1nc2ccc(C(=O)N/N=C\c3ccccc3OCc3ccccc3)cc2s1
InChIInChI=1S/C22H18N4O2S/c23-22-25-18-11-10-16(12-20(18)29-22)21(27)26-24-13-17-8-4-5-9-19(17)28-14-15-6-2-1-3-7-15/h1-13H,14H2,(H2,23,25)(H,26,27)/b24-13-
InChIKeyFDYIHTDYVRWRPI-CFRMEGHHSA-N
XLogP4.22
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 110522643
3-hydroxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6911496
3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4923315
2-amino-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
CID 110522604
2-amino-N-[(Z)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
CID 136874279
3-ethoxy-4-methoxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 126322287
2-amino-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
CID 110522605
2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 110522694
2-amino-N-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
CID 110522484
4-[[2-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126342942
4-[[2-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid
CID 6875276
N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6262708

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide (CID 110522559) is 2-amino-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide is Nc1nc2ccc(C(=O)N/N=C\c3ccccc3OCc3ccccc3)cc2s1.
What is the InChIKey of 2-amino-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide?
The InChIKey is FDYIHTDYVRWRPI-CFRMEGHHSA-N. The full InChI is InChI=1S/C22H18N4O2S/c23-22-25-18-11-10-16(12-20(18)29-22)21(27)26-24-13-17-8-4-5-9-19(17)28-14-15-6-2-1-3-7-15/h1-13H,14H2,(H2,23,25)(H,26,27)/b24-13-.
What are the key properties of 2-amino-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide?
2-amino-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 110522559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).