N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-pyridin-4-ylphenyl)acetamide

C21H17N3O2S — CID 46926812

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-pyridin-4-ylphenyl)acetamide
SMILESCOc1ccc2nc(NC(=O)Cc3cccc(-c4ccncc4)c3)sc2c1
InChIInChI=1S/C21H17N3O2S/c1-26-17-5-6-18-19(13-17)27-21(23-18)24-20(25)12-14-3-2-4-16(11-14)15-7-9-22-10-8-15/h2-11,13H,12H2,1H3,(H,23,24,25)
InChIKeyDHYFHXVPERBWKQ-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.55
Rot. Bonds5

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-pyridin-4-ylphenyl)acetamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-pyridin-4-ylphenyl)acetamide (PubChem CID 46926812) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-pyridin-4-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-pyridin-4-ylphenyl)acetamide
PubChem CID46926812
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-pyridin-4-ylphenyl)acetamide
SMILESCOc1ccc2nc(NC(=O)Cc3cccc(-c4ccncc4)c3)sc2c1
InChIInChI=1S/C21H17N3O2S/c1-26-17-5-6-18-19(13-17)27-21(23-18)24-20(25)12-14-3-2-4-16(11-14)15-7-9-22-10-8-15/h2-11,13H,12H2,1H3,(H,23,24,25)
InChIKeyDHYFHXVPERBWKQ-UHFFFAOYSA-N
XLogP4.55
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.55
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-(3-pyridin-4-ylphenyl)acetamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-pyridin-4-ylphenyl)acetamide (CID 46926812) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-pyridin-4-ylphenyl)acetamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-pyridin-4-ylphenyl)acetamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-pyridin-4-ylphenyl)acetamide is COc1ccc2nc(NC(=O)Cc3cccc(-c4ccncc4)c3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-pyridin-4-ylphenyl)acetamide?
The InChIKey is DHYFHXVPERBWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-26-17-5-6-18-19(13-17)27-21(23-18)24-20(25)12-14-3-2-4-16(11-14)15-7-9-22-10-8-15/h2-11,13H,12H2,1H3,(H,23,24,25).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-pyridin-4-ylphenyl)acetamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-pyridin-4-ylphenyl)acetamide has a molecular weight of 375.45 g/mol, XLogP of 4.55, 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-(3-pyridin-4-ylphenyl)acetamide is sourced from PubChem (CID 46926812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).