2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

C22H21FN4O2S — CID 16824213

IUPAC2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(N(CCCn3ccnc3)C(=O)Cc3ccc(F)cc3)sc2c1
InChIInChI=1S/C22H21FN4O2S/c1-29-18-7-8-19-20(14-18)30-22(25-19)27(11-2-10-26-12-9-24-15-26)21(28)13-16-3-5-17(23)6-4-16/h3-9,12,14-15H,2,10-11,13H2,1H3
InChIKeyCAZKGYMEVXGVKK-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.31
Rot. Bonds8

About 2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 16824213) has the molecular formula C22H21FN4O2S and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID16824213
Molecular FormulaC22H21FN4O2S
Molecular Weight424.50 g/mol
Exact Mass424.14
IUPAC Name2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(N(CCCn3ccnc3)C(=O)Cc3ccc(F)cc3)sc2c1
InChIInChI=1S/C22H21FN4O2S/c1-29-18-7-8-19-20(14-18)30-22(25-19)27(11-2-10-26-12-9-24-15-26)21(28)13-16-3-5-17(23)6-4-16/h3-9,12,14-15H,2,10-11,13H2,1H3
InChIKeyCAZKGYMEVXGVKK-UHFFFAOYSA-N
XLogP4.31
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (CID 16824213) is 2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is COc1ccc2nc(N(CCCn3ccnc3)C(=O)Cc3ccc(F)cc3)sc2c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is CAZKGYMEVXGVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2S/c1-29-18-7-8-19-20(14-18)30-22(25-19)27(11-2-10-26-12-9-24-15-26)21(28)13-16-3-5-17(23)6-4-16/h3-9,12,14-15H,2,10-11,13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 424.50 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 16824213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).