3-methoxy-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide

C16H15N3O2S — CID 6900941

IUPAC3-methoxy-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
SMILESCOc1cccc(C(=O)N/N=c2\sc3ccccc3n2C)c1
InChIInChI=1S/C16H15N3O2S/c1-19-13-8-3-4-9-14(13)22-16(19)18-17-15(20)11-6-5-7-12(10-11)21-2/h3-10H,1-2H3,(H,17,20)/b18-16-
InChIKeyCEMDDVRYOASWAE-VLGSPTGOSA-N
MW313.38 g/mol
LogP2.49
Rot. Bonds3

About 3-methoxy-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide

3-methoxy-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide (PubChem CID 6900941) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-methoxy-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
PubChem CID6900941
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name3-methoxy-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
SMILESCOc1cccc(C(=O)N/N=c2\sc3ccccc3n2C)c1
InChIInChI=1S/C16H15N3O2S/c1-19-13-8-3-4-9-14(13)22-16(19)18-17-15(20)11-6-5-7-12(10-11)21-2/h3-10H,1-2H3,(H,17,20)/b18-16-
InChIKeyCEMDDVRYOASWAE-VLGSPTGOSA-N
XLogP2.49
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide?
The IUPAC name of 3-methoxy-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide (CID 6900941) is 3-methoxy-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide.
What is the SMILES notation for 3-methoxy-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide?
The canonical SMILES for 3-methoxy-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide is COc1cccc(C(=O)N/N=c2\sc3ccccc3n2C)c1.
What is the InChIKey of 3-methoxy-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide?
The InChIKey is CEMDDVRYOASWAE-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-19-13-8-3-4-9-14(13)22-16(19)18-17-15(20)11-6-5-7-12(10-11)21-2/h3-10H,1-2H3,(H,17,20)/b18-16-.
What are the key properties of 3-methoxy-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide?
3-methoxy-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide has a molecular weight of 313.38 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide is sourced from PubChem (CID 6900941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).