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

C19H17N3O4S2 — CID 7488298

IUPACN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1
InChIInChI=1S/C19H17N3O4S2/c1-25-15-7-8-17(26-2)18(11-15)28(23,24)21-14-5-3-13(4-6-14)16-12-22-9-10-27-19(22)20-16/h3-12,21H,1-2H3
InChIKeyRDJLGKZPNLXQAI-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.88
Rot. Bonds6

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

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 7488298) has the molecular formula C19H17N3O4S2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethoxybenzenesulfonamide
PubChem CID7488298
Molecular FormulaC19H17N3O4S2
Molecular Weight415.50 g/mol
Exact Mass415.07
IUPAC NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1
InChIInChI=1S/C19H17N3O4S2/c1-25-15-7-8-17(26-2)18(11-15)28(23,24)21-14-5-3-13(4-6-14)16-12-22-9-10-27-19(22)20-16/h3-12,21H,1-2H3
InChIKeyRDJLGKZPNLXQAI-UHFFFAOYSA-N
XLogP3.88
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 7421295
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethylbenzenesulfonamide
CID 40696843
2-fluoro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzenesulfonamide
CID 7488179
2,5-dimethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 7553626
4-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide
CID 41427613
2,5-dimethoxy-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 108784145
1-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)methanesulfonamide
CID 83084144
(E)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 26175588
N-(4-fluorophenyl)-2-methoxy-5-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzenesulfonamide
CID 146411362
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 121031637
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-nitrobenzenesulfonamide
CID 121028684
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethoxybenzenesulfonamide (CID 7488298) is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1.
What is the InChIKey of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is RDJLGKZPNLXQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S2/c1-25-15-7-8-17(26-2)18(11-15)28(23,24)21-14-5-3-13(4-6-14)16-12-22-9-10-27-19(22)20-16/h3-12,21H,1-2H3.
What are the key properties of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethoxybenzenesulfonamide?
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 415.50 g/mol, XLogP of 3.88, 6 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)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 7488298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).