4-(5-ethyl-2-pyridinyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

C22H19N3O2S — CID 3456818

IUPAC4-(5-ethyl-2-pyridinyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCc1ccc(-c2ccc(C(=O)Nc3nc4ccc(OC)cc4s3)cc2)nc1
InChIInChI=1S/C22H19N3O2S/c1-3-14-4-10-18(23-13-14)15-5-7-16(8-6-15)21(26)25-22-24-19-11-9-17(27-2)12-20(19)28-22/h4-13H,3H2,1-2H3,(H,24,25,26)
InChIKeyCWFSWUQXRHRWRT-UHFFFAOYSA-N
MW389.48 g/mol
LogP5.18
Rot. Bonds5

About 4-(5-ethyl-2-pyridinyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

4-(5-ethyl-2-pyridinyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 3456818) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 4-(5-ethyl-2-pyridinyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(5-ethyl-2-pyridinyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID3456818
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name4-(5-ethyl-2-pyridinyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCc1ccc(-c2ccc(C(=O)Nc3nc4ccc(OC)cc4s3)cc2)nc1
InChIInChI=1S/C22H19N3O2S/c1-3-14-4-10-18(23-13-14)15-5-7-16(8-6-15)21(26)25-22-24-19-11-9-17(27-2)12-20(19)28-22/h4-13H,3H2,1-2H3,(H,24,25,26)
InChIKeyCWFSWUQXRHRWRT-UHFFFAOYSA-N
XLogP5.18
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide
CID 91335241
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
4-ethyl-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 1305718
2-(4-ethylphenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2484391
6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 17395023
N-(6-methoxy-1,3-benzothiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 18147913
4-fluoro-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 87059661
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
4-[(S)-amino(phenyl)methyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 110876919
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 739499
4-methyl-N-(6-propoxy-1,3-benzothiazol-2-yl)benzamide
CID 19213723

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2-pyridinyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-(5-ethyl-2-pyridinyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 3456818) is 4-(5-ethyl-2-pyridinyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-(5-ethyl-2-pyridinyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-(5-ethyl-2-pyridinyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is CCc1ccc(-c2ccc(C(=O)Nc3nc4ccc(OC)cc4s3)cc2)nc1.
What is the InChIKey of 4-(5-ethyl-2-pyridinyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is CWFSWUQXRHRWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-3-14-4-10-18(23-13-14)15-5-7-16(8-6-15)21(26)25-22-24-19-11-9-17(27-2)12-20(19)28-22/h4-13H,3H2,1-2H3,(H,24,25,26).
What are the key properties of 4-(5-ethyl-2-pyridinyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
4-(5-ethyl-2-pyridinyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 389.48 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-2-pyridinyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 3456818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).