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

C21H17N3O2S — CID 155518303

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-pyridin-3-ylphenyl)acetamide
SMILESCOc1ccc2nc(NC(=O)Cc3ccc(-c4cccnc4)cc3)sc2c1
InChIInChI=1S/C21H17N3O2S/c1-26-17-8-9-18-19(12-17)27-21(23-18)24-20(25)11-14-4-6-15(7-5-14)16-3-2-10-22-13-16/h2-10,12-13H,11H2,1H3,(H,23,24,25)
InChIKeyFMUXSVBYRQPXCU-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.55
Rot. Bonds5

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

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-pyridin-3-ylphenyl)acetamide (PubChem CID 155518303) 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-(4-pyridin-3-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-pyridin-3-ylphenyl)acetamide
PubChem CID155518303
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-pyridin-3-ylphenyl)acetamide
SMILESCOc1ccc2nc(NC(=O)Cc3ccc(-c4cccnc4)cc3)sc2c1
InChIInChI=1S/C21H17N3O2S/c1-26-17-8-9-18-19(12-17)27-21(23-18)24-20(25)11-14-4-6-15(7-5-14)16-3-2-10-22-13-16/h2-10,12-13H,11H2,1H3,(H,23,24,25)
InChIKeyFMUXSVBYRQPXCU-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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Related Compounds

4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-[6-(5,6-Dimethoxypyridin-3-Yl)-1,3-Benzothiazol-2-Yl]acetamide
CID 73659200
2-(3-Methoxyphenyl)-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]acetamide
CID 4803142
1-(4-(2-(Thiazol-2-yl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-3-(2-phenylacetyl)thiourea
CID 11598848
N-(3-Fluoro-4-(thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamide
CID 24901699
1-(4-(2-(Methylthio)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-3-(2-phenylacetyl)thiourea
CID 24901700
US10251893, Cpd 6
CID 46926811
2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 748071
4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 750191
6-Methoxy-N-(3-pyridinylmethyl)-2-benzothiazolamine
CID 834526
N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 718830
N-(4-ethoxybenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 16032335

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-pyridin-3-ylphenyl)acetamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-pyridin-3-ylphenyl)acetamide (CID 155518303) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-pyridin-3-ylphenyl)acetamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-pyridin-3-ylphenyl)acetamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-pyridin-3-ylphenyl)acetamide is COc1ccc2nc(NC(=O)Cc3ccc(-c4cccnc4)cc3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-pyridin-3-ylphenyl)acetamide?
The InChIKey is FMUXSVBYRQPXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-26-17-8-9-18-19(12-17)27-21(23-18)24-20(25)11-14-4-6-15(7-5-14)16-3-2-10-22-13-16/h2-10,12-13H,11H2,1H3,(H,23,24,25).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-pyridin-3-ylphenyl)acetamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-pyridin-3-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-(4-pyridin-3-ylphenyl)acetamide is sourced from PubChem (CID 155518303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).