4-ethoxy-N-[3-[3-(pyrrolidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide

C24H24N4O4S2 — CID 50839548

IUPAC4-ethoxy-N-[3-[3-(pyrrolidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(-c3cn4c(C(=O)N5CCCC5)csc4n3)c2)cc1
InChIInChI=1S/C24H24N4O4S2/c1-2-32-19-8-10-20(11-9-19)34(30,31)26-18-7-5-6-17(14-18)21-15-28-22(16-33-24(28)25-21)23(29)27-12-3-4-13-27/h5-11,14-16,26H,2-4,12-13H2,1H3
InChIKeyLSOXVVOYODLRQG-UHFFFAOYSA-N
MW496.61 g/mol
LogP4.50
Rot. Bonds7

About 4-ethoxy-N-[3-[3-(pyrrolidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide

4-ethoxy-N-[3-[3-(pyrrolidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide (PubChem CID 50839548) has the molecular formula C24H24N4O4S2 and a molecular weight of 496.61 g/mol. Its IUPAC name is 4-ethoxy-N-[3-[3-(pyrrolidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[3-[3-(pyrrolidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide
PubChem CID50839548
Molecular FormulaC24H24N4O4S2
Molecular Weight496.61 g/mol
Exact Mass496.12
IUPAC Name4-ethoxy-N-[3-[3-(pyrrolidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(-c3cn4c(C(=O)N5CCCC5)csc4n3)c2)cc1
InChIInChI=1S/C24H24N4O4S2/c1-2-32-19-8-10-20(11-9-19)34(30,31)26-18-7-5-6-17(14-18)21-15-28-22(16-33-24(28)25-21)23(29)27-12-3-4-13-27/h5-11,14-16,26H,2-4,12-13H2,1H3
InChIKeyLSOXVVOYODLRQG-UHFFFAOYSA-N
XLogP4.50
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[3-(4-methylpiperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide
CID 50839588
4-ethoxy-N-[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 7574006
N-[3-(azepane-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 7398605
2-ethoxy-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 50839605
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanesulfonamide
CID 7151320
ethyl 6-[4-[(4-methylphenyl)sulfonylamino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 122192457
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 121038392
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propane-1-sulfonamide
CID 7151322
[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-pyrrolidin-1-ylmethanone
CID 42271654
3-(azepane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 9314938
3-(azocane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 55370420
N-[4-[3-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]acetamide
CID 50839374

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-[3-(pyrrolidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[3-[3-(pyrrolidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide (CID 50839548) is 4-ethoxy-N-[3-[3-(pyrrolidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[3-[3-(pyrrolidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[3-[3-(pyrrolidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cccc(-c3cn4c(C(=O)N5CCCC5)csc4n3)c2)cc1.
What is the InChIKey of 4-ethoxy-N-[3-[3-(pyrrolidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide?
The InChIKey is LSOXVVOYODLRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S2/c1-2-32-19-8-10-20(11-9-19)34(30,31)26-18-7-5-6-17(14-18)21-15-28-22(16-33-24(28)25-21)23(29)27-12-3-4-13-27/h5-11,14-16,26H,2-4,12-13H2,1H3.
What are the key properties of 4-ethoxy-N-[3-[3-(pyrrolidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide?
4-ethoxy-N-[3-[3-(pyrrolidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide has a molecular weight of 496.61 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-[3-(pyrrolidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 50839548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).