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

C20H16N4O2S — CID 46927512

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide
SMILESCOc1ccc2nc(NC(=O)Cc3ccc(-c4ccncc4)nc3)sc2c1
InChIInChI=1S/C20H16N4O2S/c1-26-15-3-5-17-18(11-15)27-20(23-17)24-19(25)10-13-2-4-16(22-12-13)14-6-8-21-9-7-14/h2-9,11-12H,10H2,1H3,(H,23,24,25)
InChIKeyDQZKSZRKCYYJHM-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.94
Rot. Bonds5

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

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide (PubChem CID 46927512) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide
PubChem CID46927512
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide
SMILESCOc1ccc2nc(NC(=O)Cc3ccc(-c4ccncc4)nc3)sc2c1
InChIInChI=1S/C20H16N4O2S/c1-26-15-3-5-17-18(11-15)27-20(23-17)24-19(25)10-13-2-4-16(22-12-13)14-6-8-21-9-7-14/h2-9,11-12H,10H2,1H3,(H,23,24,25)
InChIKeyDQZKSZRKCYYJHM-UHFFFAOYSA-N
XLogP3.94
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide (CID 46927512) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide is COc1ccc2nc(NC(=O)Cc3ccc(-c4ccncc4)nc3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide?
The InChIKey is DQZKSZRKCYYJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-26-15-3-5-17-18(11-15)27-20(23-17)24-19(25)10-13-2-4-16(22-12-13)14-6-8-21-9-7-14/h2-9,11-12H,10H2,1H3,(H,23,24,25).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide has a molecular weight of 376.44 g/mol, XLogP of 3.94, 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-pyridin-4-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 46927512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).