2-amino-N-[(Z)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide

C15H10Cl2N4O3S — CID 136874279

IUPAC2-amino-N-[(Z)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
SMILESNc1nc2ccc(C(=O)N/N=C\c3cc(Cl)c(O)c(Cl)c3O)cc2s1
InChIInChI=1S/C15H10Cl2N4O3S/c16-8-3-7(12(22)11(17)13(8)23)5-19-21-14(24)6-1-2-9-10(4-6)25-15(18)20-9/h1-5,22-23H,(H2,18,20)(H,21,24)/b19-5-
InChIKeySDCJXHHSEATPFF-IPKBDRFQSA-N
MW397.24 g/mol
LogP3.36
Rot. Bonds3

About 2-amino-N-[(Z)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide

2-amino-N-[(Z)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide (PubChem CID 136874279) has the molecular formula C15H10Cl2N4O3S and a molecular weight of 397.24 g/mol. Its IUPAC name is 2-amino-N-[(Z)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(Z)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
PubChem CID136874279
Molecular FormulaC15H10Cl2N4O3S
Molecular Weight397.24 g/mol
Exact Mass395.99
IUPAC Name2-amino-N-[(Z)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
SMILESNc1nc2ccc(C(=O)N/N=C\c3cc(Cl)c(O)c(Cl)c3O)cc2s1
InChIInChI=1S/C15H10Cl2N4O3S/c16-8-3-7(12(22)11(17)13(8)23)5-19-21-14(24)6-1-2-9-10(4-6)25-15(18)20-9/h1-5,22-23H,(H2,18,20)(H,21,24)/b19-5-
InChIKeySDCJXHHSEATPFF-IPKBDRFQSA-N
XLogP3.36
TPSA120.83 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.24
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
CID 110522605
2-amino-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
CID 110522559
2-amino-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
CID 110522604
2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60635776
2-amino-N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
CID 110522564
2-amino-N-[(Z)-(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
CID 110522518
2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60636089
4-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2,6-dichlorobenzene-1,3-diol
CID 136787260
2-amino-N-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
CID 110522484
2-amino-N-pyrimidin-2-yl-1,3-benzothiazole-6-carboxamide
CID 60719150
N-[(E)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 136712147
2-amino-N-(3-chloro-2-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 60635946

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(Z)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-[(Z)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide (CID 136874279) is 2-amino-N-[(Z)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-[(Z)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-[(Z)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide is Nc1nc2ccc(C(=O)N/N=C\c3cc(Cl)c(O)c(Cl)c3O)cc2s1.
What is the InChIKey of 2-amino-N-[(Z)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide?
The InChIKey is SDCJXHHSEATPFF-IPKBDRFQSA-N. The full InChI is InChI=1S/C15H10Cl2N4O3S/c16-8-3-7(12(22)11(17)13(8)23)5-19-21-14(24)6-1-2-9-10(4-6)25-15(18)20-9/h1-5,22-23H,(H2,18,20)(H,21,24)/b19-5-.
What are the key properties of 2-amino-N-[(Z)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide?
2-amino-N-[(Z)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide has a molecular weight of 397.24 g/mol, XLogP of 3.36, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(Z)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 136874279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).