2,5-dichloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide

C17H13Cl2N3O2S2 — CID 41427635

IUPAC2,5-dichloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H13Cl2N3O2S2/c18-12-3-6-14(19)16(9-12)26(23,24)21-13-4-1-11(2-5-13)15-10-22-7-8-25-17(22)20-15/h1-6,9-10,21H,7-8H2
InChIKeyPQSWTMGBHPRQRI-UHFFFAOYSA-N
MW426.35 g/mol
LogP4.76
Rot. Bonds4

About 2,5-dichloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide

2,5-dichloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide (PubChem CID 41427635) has the molecular formula C17H13Cl2N3O2S2 and a molecular weight of 426.35 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
PubChem CID41427635
Molecular FormulaC17H13Cl2N3O2S2
Molecular Weight426.35 g/mol
Exact Mass424.98
IUPAC Name2,5-dichloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H13Cl2N3O2S2/c18-12-3-6-14(19)16(9-12)26(23,24)21-13-4-1-11(2-5-13)15-10-22-7-8-25-17(22)20-15/h1-6,9-10,21H,7-8H2
InChIKeyPQSWTMGBHPRQRI-UHFFFAOYSA-N
XLogP4.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.35
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
CID 41427465
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 7488338
5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxybenzenesulfonamide
CID 121031215
3-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methylbenzenesulfonamide
CID 121031242
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-phenoxybenzenesulfonamide
CID 41427625
2,5-dichloro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide
CID 41427562
6-(4-iodophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
CID 158709331
5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-methoxy-2-methylbenzenesulfonamide
CID 121031239
6-(2,4-dichlorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole
CID 14145100
2-chloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40506421
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-fluoro-4-methoxybenzenesulfonamide
CID 30288486
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
CID 121031214

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide (CID 41427635) is 2,5-dichloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide?
The InChIKey is PQSWTMGBHPRQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2S2/c18-12-3-6-14(19)16(9-12)26(23,24)21-13-4-1-11(2-5-13)15-10-22-7-8-25-17(22)20-15/h1-6,9-10,21H,7-8H2.
What are the key properties of 2,5-dichloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide?
2,5-dichloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide has a molecular weight of 426.35 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 41427635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).