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

C23H23FN4O2S — CID 16824221

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
SMILESCCOc1ccc2nc(N(CCCn3ccnc3)C(=O)Cc3ccc(F)cc3)sc2c1
InChIInChI=1S/C23H23FN4O2S/c1-2-30-19-8-9-20-21(15-19)31-23(26-20)28(12-3-11-27-13-10-25-16-27)22(29)14-17-4-6-18(24)7-5-17/h4-10,13,15-16H,2-3,11-12,14H2,1H3
InChIKeyUAGQYHSWKVNDAC-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.70
Rot. Bonds9

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

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide (PubChem CID 16824221) has the molecular formula C23H23FN4O2S and a molecular weight of 438.53 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
PubChem CID16824221
Molecular FormulaC23H23FN4O2S
Molecular Weight438.53 g/mol
Exact Mass438.15
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
SMILESCCOc1ccc2nc(N(CCCn3ccnc3)C(=O)Cc3ccc(F)cc3)sc2c1
InChIInChI=1S/C23H23FN4O2S/c1-2-30-19-8-9-20-21(15-19)31-23(26-20)28(12-3-11-27-13-10-25-16-27)22(29)14-17-4-6-18(24)7-5-17/h4-10,13,15-16H,2-3,11-12,14H2,1H3
InChIKeyUAGQYHSWKVNDAC-UHFFFAOYSA-N
XLogP4.70
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfanylphenyl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride
CID 44909197
N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8718683
(E)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-(4-nitrophenyl)prop-2-enamide;hydrochloride
CID 44909302
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
CID 16824185
N-(3-imidazol-1-ylpropyl)-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44909209
3-[[2-(4-fluorophenyl)acetyl]-(6-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium
CID 8670588
5-chloro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 18589917
N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide;hydrochloride
CID 44929710
4-tert-butyl-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44909237
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide
CID 18589895
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide;hydrochloride
CID 18589940
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)-N-(3-morpholin-4-ylpropyl)acetamide;hydrochloride
CID 44991468

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide (CID 16824221) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide is CCOc1ccc2nc(N(CCCn3ccnc3)C(=O)Cc3ccc(F)cc3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide?
The InChIKey is UAGQYHSWKVNDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2S/c1-2-30-19-8-9-20-21(15-19)31-23(26-20)28(12-3-11-27-13-10-25-16-27)22(29)14-17-4-6-18(24)7-5-17/h4-10,13,15-16H,2-3,11-12,14H2,1H3.
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide has a molecular weight of 438.53 g/mol, XLogP of 4.70, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide is sourced from PubChem (CID 16824221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).