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

C22H21FN4O2S — CID 18589921

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-3-fluoro-N-(3-imidazol-1-ylpropyl)benzamide
SMILESCCOc1ccc2nc(N(CCCn3ccnc3)C(=O)c3cccc(F)c3)sc2c1
InChIInChI=1S/C22H21FN4O2S/c1-2-29-18-7-8-19-20(14-18)30-22(25-19)27(11-4-10-26-12-9-24-15-26)21(28)16-5-3-6-17(23)13-16/h3,5-9,12-15H,2,4,10-11H2,1H3
InChIKeyUNKXFYXHWAVYOF-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.77
Rot. Bonds8

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

N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-fluoro-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 18589921) has the molecular formula C22H21FN4O2S and a molecular weight of 424.50 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-fluoro-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-3-fluoro-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID18589921
Molecular FormulaC22H21FN4O2S
Molecular Weight424.50 g/mol
Exact Mass424.14
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-3-fluoro-N-(3-imidazol-1-ylpropyl)benzamide
SMILESCCOc1ccc2nc(N(CCCn3ccnc3)C(=O)c3cccc(F)c3)sc2c1
InChIInChI=1S/C22H21FN4O2S/c1-2-29-18-7-8-19-20(14-18)30-22(25-19)27(11-4-10-26-12-9-24-15-26)21(28)16-5-3-6-17(23)13-16/h3,5-9,12-15H,2,4,10-11H2,1H3
InChIKeyUNKXFYXHWAVYOF-UHFFFAOYSA-N
XLogP4.77
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 ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamide
CID 24901704
3-(3-fluoro-4-{[2-(1-methyl-1H-imidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-1-(2-phenylacetyl)thiourea
CID 11713310
3-(4-{[2-(1-ethyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy}-3-fluorophenyl)-1-(2-phenylacetyl)thiourea
CID 24901705
3-(4-{[2-(1-ethyl-1H-imidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy}-3-fluorophenyl)-1-(2-phenylacetyl)thiourea
CID 24901706
N-(6-methoxybenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 16032473
N-(6-methoxybenzo[d]thiazol-2-yl)-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 16032494
N-(3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenylcarbamoyl)-2-phenylacetamide
CID 44565118
4-[6-(2-fluoroethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]-N-methylaniline
CID 46861593
(18F)Fibt
CID 53494953
N-methyl-N-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]-1,3-benzothiazole-6-carboxamide
CID 56596229
US10251893, Cpd 62
CID 58447774
N-(6-ethoxybenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 16032500

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-fluoro-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-fluoro-N-(3-imidazol-1-ylpropyl)benzamide (CID 18589921) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-fluoro-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-fluoro-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-fluoro-N-(3-imidazol-1-ylpropyl)benzamide is CCOc1ccc2nc(N(CCCn3ccnc3)C(=O)c3cccc(F)c3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-fluoro-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is UNKXFYXHWAVYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2S/c1-2-29-18-7-8-19-20(14-18)30-22(25-19)27(11-4-10-26-12-9-24-15-26)21(28)16-5-3-6-17(23)13-16/h3,5-9,12-15H,2,4,10-11H2,1H3.
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-fluoro-N-(3-imidazol-1-ylpropyl)benzamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-fluoro-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 424.50 g/mol, XLogP of 4.77, 8 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)-3-fluoro-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 18589921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).