2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]acetamide

C17H14Cl2N4O2S — CID 110522702

IUPAC2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1c(Cl)cc(/C=N\NC(=O)Cc2ccc3nc(N)sc3c2)cc1Cl
InChIInChI=1S/C17H14Cl2N4O2S/c1-25-16-11(18)4-10(5-12(16)19)8-21-23-15(24)7-9-2-3-13-14(6-9)26-17(20)22-13/h2-6,8H,7H2,1H3,(H2,20,22)(H,23,24)/b21-8-
InChIKeyXCOJKUMUNFMTQD-WNFQYIGGSA-N
MW409.30 g/mol
LogP3.89
Rot. Bonds5

About 2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]acetamide

2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]acetamide (PubChem CID 110522702) has the molecular formula C17H14Cl2N4O2S and a molecular weight of 409.30 g/mol. Its IUPAC name is 2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]acetamide
PubChem CID110522702
Molecular FormulaC17H14Cl2N4O2S
Molecular Weight409.30 g/mol
Exact Mass408.02
IUPAC Name2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1c(Cl)cc(/C=N\NC(=O)Cc2ccc3nc(N)sc3c2)cc1Cl
InChIInChI=1S/C17H14Cl2N4O2S/c1-25-16-11(18)4-10(5-12(16)19)8-21-23-15(24)7-9-2-3-13-14(6-9)26-17(20)22-13/h2-6,8H,7H2,1H3,(H2,20,22)(H,23,24)/b21-8-
InChIKeyXCOJKUMUNFMTQD-WNFQYIGGSA-N
XLogP3.89
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.30
LogP ≤ 53.89
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'}

Analyze 2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-[3,5-dichloro-4-(2-methylpropoxy)phenyl]methylideneamino]acetamide
CID 110522713
2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-(3-chloro-4-hydroxyphenyl)methylideneamino]acetamide
CID 136874296
2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 110522782
2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 110522655
2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]acetamide
CID 110522633
2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 110522694
2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 110522784
N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515329
2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-[4-(3-phenylpropoxy)phenyl]methylideneamino]acetamide
CID 110522669
2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 110522643
N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-(4-chlorophenyl)acetamide
CID 110515767
N-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133144006

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]acetamide (CID 110522702) is 2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]acetamide is COc1c(Cl)cc(/C=N\NC(=O)Cc2ccc3nc(N)sc3c2)cc1Cl.
What is the InChIKey of 2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is XCOJKUMUNFMTQD-WNFQYIGGSA-N. The full InChI is InChI=1S/C17H14Cl2N4O2S/c1-25-16-11(18)4-10(5-12(16)19)8-21-23-15(24)7-9-2-3-13-14(6-9)26-17(20)22-13/h2-6,8H,7H2,1H3,(H2,20,22)(H,23,24)/b21-8-.
What are the key properties of 2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]acetamide?
2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 409.30 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 110522702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).