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

C22H19N3O2S — CID 46926811

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
SMILESCOc1ccc2nc(NC(=O)Cc3ccc(-c4ccnc(C)c4)cc3)sc2c1
InChIInChI=1S/C22H19N3O2S/c1-14-11-17(9-10-23-14)16-5-3-15(4-6-16)12-21(26)25-22-24-19-8-7-18(27-2)13-20(19)28-22/h3-11,13H,12H2,1-2H3,(H,24,25,26)
InChIKeyVZUYDLBCAYXKGE-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.86
Rot. Bonds5

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

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide (PubChem CID 46926811) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
PubChem CID46926811
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
SMILESCOc1ccc2nc(NC(=O)Cc3ccc(-c4ccnc(C)c4)cc3)sc2c1
InChIInChI=1S/C22H19N3O2S/c1-14-11-17(9-10-23-14)16-5-3-15(4-6-16)12-21(26)25-22-24-19-8-7-18(27-2)13-20(19)28-22/h3-11,13H,12H2,1-2H3,(H,24,25,26)
InChIKeyVZUYDLBCAYXKGE-UHFFFAOYSA-N
XLogP4.86
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide (CID 46926811) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide is COc1ccc2nc(NC(=O)Cc3ccc(-c4ccnc(C)c4)cc3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The InChIKey is VZUYDLBCAYXKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-14-11-17(9-10-23-14)16-5-3-15(4-6-16)12-21(26)25-22-24-19-8-7-18(27-2)13-20(19)28-22/h3-11,13H,12H2,1-2H3,(H,24,25,26).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide has a molecular weight of 389.48 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 46926811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).