N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide

C21H18N4O2S — CID 46927584

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
SMILESCOc1ccc2nc(NC(=O)Cc3ccc(-c4ccnc(C)c4)nc3)sc2c1
InChIInChI=1S/C21H18N4O2S/c1-13-9-15(7-8-22-13)17-5-3-14(12-23-17)10-20(26)25-21-24-18-6-4-16(27-2)11-19(18)28-21/h3-9,11-12H,10H2,1-2H3,(H,24,25,26)
InChIKeyXUHNNXVPVUJFDC-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.25
Rot. Bonds5

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide (PubChem CID 46927584) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
PubChem CID46927584
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
SMILESCOc1ccc2nc(NC(=O)Cc3ccc(-c4ccnc(C)c4)nc3)sc2c1
InChIInChI=1S/C21H18N4O2S/c1-13-9-15(7-8-22-13)17-5-3-14(12-23-17)10-20(26)25-21-24-18-6-4-16(27-2)11-19(18)28-21/h3-9,11-12H,10H2,1-2H3,(H,24,25,26)
InChIKeyXUHNNXVPVUJFDC-UHFFFAOYSA-N
XLogP4.25
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide (CID 46927584) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide is COc1ccc2nc(NC(=O)Cc3ccc(-c4ccnc(C)c4)nc3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The InChIKey is XUHNNXVPVUJFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-13-9-15(7-8-22-13)17-5-3-14(12-23-17)10-20(26)25-21-24-18-6-4-16(27-2)11-19(18)28-21/h3-9,11-12H,10H2,1-2H3,(H,24,25,26).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide has a molecular weight of 390.47 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 46927584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).