3-fluoro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

C21H19FN4O2S — CID 16824205

IUPAC3-fluoro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(N(CCCn3ccnc3)C(=O)c3cccc(F)c3)sc2c1
InChIInChI=1S/C21H19FN4O2S/c1-28-17-6-7-18-19(13-17)29-21(24-18)26(10-3-9-25-11-8-23-14-25)20(27)15-4-2-5-16(22)12-15/h2,4-8,11-14H,3,9-10H2,1H3
InChIKeyQNGLFFZIMNKCOC-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.38
Rot. Bonds7

About 3-fluoro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

3-fluoro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 16824205) has the molecular formula C21H19FN4O2S and a molecular weight of 410.47 g/mol. Its IUPAC name is 3-fluoro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID16824205
Molecular FormulaC21H19FN4O2S
Molecular Weight410.47 g/mol
Exact Mass410.12
IUPAC Name3-fluoro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(N(CCCn3ccnc3)C(=O)c3cccc(F)c3)sc2c1
InChIInChI=1S/C21H19FN4O2S/c1-28-17-6-7-18-19(13-17)29-21(24-18)26(10-3-9-25-11-8-23-14-25)20(27)15-4-2-5-16(22)12-15/h2,4-8,11-14H,3,9-10H2,1H3
InChIKeyQNGLFFZIMNKCOC-UHFFFAOYSA-N
XLogP4.38
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3-fluoro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 16824205) is 3-fluoro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3-fluoro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1ccc2nc(N(CCCn3ccnc3)C(=O)c3cccc(F)c3)sc2c1.
What is the InChIKey of 3-fluoro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is QNGLFFZIMNKCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2S/c1-28-17-6-7-18-19(13-17)29-21(24-18)26(10-3-9-25-11-8-23-14-25)20(27)15-4-2-5-16(22)12-15/h2,4-8,11-14H,3,9-10H2,1H3.
What are the key properties of 3-fluoro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
3-fluoro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 410.47 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 16824205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).