4-fluoro-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide

C22H19FN4O4S2 — CID 2999553

IUPAC4-fluoro-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H19FN4O4S2/c23-18-6-3-16(13-20(18)33(29,30)27-7-10-31-11-8-27)21(28)24-17-4-1-15(2-5-17)19-14-26-9-12-32-22(26)25-19/h1-6,9,12-14H,7-8,10-11H2,(H,24,28)
InChIKeyWWBPPUWBGWVORT-UHFFFAOYSA-N
MW486.55 g/mol
LogP3.48
Rot. Bonds5

About 4-fluoro-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide

4-fluoro-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 2999553) has the molecular formula C22H19FN4O4S2 and a molecular weight of 486.55 g/mol. Its IUPAC name is 4-fluoro-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID2999553
Molecular FormulaC22H19FN4O4S2
Molecular Weight486.55 g/mol
Exact Mass486.08
IUPAC Name4-fluoro-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H19FN4O4S2/c23-18-6-3-16(13-20(18)33(29,30)27-7-10-31-11-8-27)21(28)24-17-4-1-15(2-5-17)19-14-26-9-12-32-22(26)25-19/h1-6,9,12-14H,7-8,10-11H2,(H,24,28)
InChIKeyWWBPPUWBGWVORT-UHFFFAOYSA-N
XLogP3.48
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018309
2-(4-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018313
N-(3-(5-(2-(4-(2-(dimethylamino)ethyl)phenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)-2,6-difluorobenzamide
CID 46865992
3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4853713
3-(difluoromethylsulfanyl)-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 25233238
N-(3-(5-(2-(phenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)benzamide
CID 46886311
N-(3-(5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)benzamide
CID 46886313
2,6-difluoro-N-(3-(5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)benzamide
CID 46886314
2,6-difluoro-N-(3-(5-(2-(3-morpholinophenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)benzamide
CID 46886320
TAT-ENA-80bfd3e5-1
CID 33008158
N-[4-(6-imidazo[2,1-b]thiazolyl)phenyl]-4-methoxy-3-(4-morpholinylsulfonyl)benzamide
CID 2997877
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2999543

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-fluoro-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide (CID 2999553) is 4-fluoro-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-fluoro-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-fluoro-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide is O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-fluoro-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is WWBPPUWBGWVORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O4S2/c23-18-6-3-16(13-20(18)33(29,30)27-7-10-31-11-8-27)21(28)24-17-4-1-15(2-5-17)19-14-26-9-12-32-22(26)25-19/h1-6,9,12-14H,7-8,10-11H2,(H,24,28).
What are the key properties of 4-fluoro-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
4-fluoro-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 486.55 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2999553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).