N-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1-(4-methylphenyl)methanesulfonamide

C20H18BrN3O2S2 — CID 155567338

IUPACN-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCc2cnc3scc(-c4ccc(Br)cc4)n23)cc1
InChIInChI=1S/C20H18BrN3O2S2/c1-14-2-4-15(5-3-14)13-28(25,26)23-11-18-10-22-20-24(18)19(12-27-20)16-6-8-17(21)9-7-16/h2-10,12,23H,11,13H2,1H3
InChIKeyCGODLSJSDLCAPN-UHFFFAOYSA-N
MW476.42 g/mol
LogP4.75
Rot. Bonds6

About N-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1-(4-methylphenyl)methanesulfonamide

N-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1-(4-methylphenyl)methanesulfonamide (PubChem CID 155567338) has the molecular formula C20H18BrN3O2S2 and a molecular weight of 476.42 g/mol. Its IUPAC name is N-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1-(4-methylphenyl)methanesulfonamide
PubChem CID155567338
Molecular FormulaC20H18BrN3O2S2
Molecular Weight476.42 g/mol
Exact Mass475.00
IUPAC NameN-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCc2cnc3scc(-c4ccc(Br)cc4)n23)cc1
InChIInChI=1S/C20H18BrN3O2S2/c1-14-2-4-15(5-3-14)13-28(25,26)23-11-18-10-22-20-24(18)19(12-27-20)16-6-8-17(21)9-7-16/h2-10,12,23H,11,13H2,1H3
InChIKeyCGODLSJSDLCAPN-UHFFFAOYSA-N
XLogP4.75
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.42
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1-(4-methylphenyl)methanesulfonamide (CID 155567338) is N-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1-(4-methylphenyl)methanesulfonamide is Cc1ccc(CS(=O)(=O)NCc2cnc3scc(-c4ccc(Br)cc4)n23)cc1.
What is the InChIKey of N-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1-(4-methylphenyl)methanesulfonamide?
The InChIKey is CGODLSJSDLCAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O2S2/c1-14-2-4-15(5-3-14)13-28(25,26)23-11-18-10-22-20-24(18)19(12-27-20)16-6-8-17(21)9-7-16/h2-10,12,23H,11,13H2,1H3.
What are the key properties of N-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1-(4-methylphenyl)methanesulfonamide?
N-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1-(4-methylphenyl)methanesulfonamide has a molecular weight of 476.42 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 155567338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).