4-acetyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide

C20H17N3O3S2 — CID 7151327

IUPAC4-acetyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3cn4c(C)csc4n3)cc2)cc1
InChIInChI=1S/C20H17N3O3S2/c1-13-12-27-20-21-19(11-23(13)20)16-3-7-17(8-4-16)22-28(25,26)18-9-5-15(6-10-18)14(2)24/h3-12,22H,1-2H3
InChIKeyIRPRMMGQXAVVMT-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.37
Rot. Bonds5

About 4-acetyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide

4-acetyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide (PubChem CID 7151327) has the molecular formula C20H17N3O3S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 4-acetyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
PubChem CID7151327
Molecular FormulaC20H17N3O3S2
Molecular Weight411.51 g/mol
Exact Mass411.07
IUPAC Name4-acetyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3cn4c(C)csc4n3)cc2)cc1
InChIInChI=1S/C20H17N3O3S2/c1-13-12-27-20-21-19(11-23(13)20)16-3-7-17(8-4-16)22-28(25,26)18-9-5-15(6-10-18)14(2)24/h3-12,22H,1-2H3
InChIKeyIRPRMMGQXAVVMT-UHFFFAOYSA-N
XLogP4.37
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-acetyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide with MolForge

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Related Compounds

N-(6-phenyl-5-imidazo[2,1-b]thiazolyl)benzamide
CID 786409
7-(2-oxo-2-phenylethyl)-6-phenyl-7H-imidazo[2,1-b][1,3]thiazol-4-ium bromide
CID 2879421
4-(indolin-1-ylsulfonyl)-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 4159447
7-[2-(4-nitrophenyl)-2-oxoethyl]-6-phenyl-7H-imidazo[2,1-b][1,3]thiazol-4-ium bromide
CID 5345644
Imidazo[2,1-b]thiazole,5-[4-(methylsulfonyl)phenyl]-6-phenyl-
CID 9928539
3-(difluoromethylsulfanyl)-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 25233238
TAT-ENA-80bfd3e5-1
CID 33008158
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbenzenesulfonamide
CID 983284
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2999543
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
2-fluoro-N-(3-{3-methylimidazo[2,1-b][1,3]thiazol-6-yl}phenyl)benzamide
CID 7151275

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide (CID 7151327) is 4-acetyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3cn4c(C)csc4n3)cc2)cc1.
What is the InChIKey of 4-acetyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide?
The InChIKey is IRPRMMGQXAVVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S2/c1-13-12-27-20-21-19(11-23(13)20)16-3-7-17(8-4-16)22-28(25,26)18-9-5-15(6-10-18)14(2)24/h3-12,22H,1-2H3.
What are the key properties of 4-acetyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide?
4-acetyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide has a molecular weight of 411.51 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7151327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).