N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide

C23H22N4O4S2 — CID 2999543

IUPACN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C23H22N4O4S2/c1-16-2-7-19(33(29,30)27-8-11-31-12-9-27)14-20(16)22(28)24-18-5-3-17(4-6-18)21-15-26-10-13-32-23(26)25-21/h2-7,10,13-15H,8-9,11-12H2,1H3,(H,24,28)
InChIKeySXDGAJUEDNLWGZ-UHFFFAOYSA-N
MW482.59 g/mol
LogP3.64
Rot. Bonds5

About N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 2999543) has the molecular formula C23H22N4O4S2 and a molecular weight of 482.59 g/mol. Its IUPAC name is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
PubChem CID2999543
Molecular FormulaC23H22N4O4S2
Molecular Weight482.59 g/mol
Exact Mass482.11
IUPAC NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C23H22N4O4S2/c1-16-2-7-19(33(29,30)27-8-11-31-12-9-27)14-20(16)22(28)24-18-5-3-17(4-6-18)21-15-26-10-13-32-23(26)25-21/h2-7,10,13-15H,8-9,11-12H2,1H3,(H,24,28)
InChIKeySXDGAJUEDNLWGZ-UHFFFAOYSA-N
XLogP3.64
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-(4-morpholinophenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)benzamide
CID 46886313
TAT-ENA-80bfd3e5-1
CID 33008158
N-[4-(6-imidazo[2,1-b]thiazolyl)phenyl]-4-methoxy-3-(4-morpholinylsulfonyl)benzamide
CID 2997877
4-fluoro-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2999553
4-(azepan-1-ylsulfonyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 5188724
4-acetyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
CID 7151327
N-(4-(N-(4-(3-methylimidazo[2,1-b]thiazol-6-yl)phenyl)sulfamoyl)phenyl)acetamide
CID 16030642
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4853614
N-[2-(dimethylamino)-5-[5-[2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 49830417
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 2359597
N-(3-{3-methylimidazo[2,1-b][1,3]thiazol-6-yl}phenyl)-4-sulfamoylbenzamide
CID 7151270

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide (CID 2999543) is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1.
What is the InChIKey of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is SXDGAJUEDNLWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S2/c1-16-2-7-19(33(29,30)27-8-11-31-12-9-27)14-20(16)22(28)24-18-5-3-17(4-6-18)21-15-26-10-13-32-23(26)25-21/h2-7,10,13-15H,8-9,11-12H2,1H3,(H,24,28).
What are the key properties of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 482.59 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2999543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).