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

C19H17N3O2S2 — CID 40696843

IUPACN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1
InChIInChI=1S/C19H17N3O2S2/c1-13-3-4-14(2)18(11-13)26(23,24)21-16-7-5-15(6-8-16)17-12-22-9-10-25-19(22)20-17/h3-12,21H,1-2H3
InChIKeyNDAJTSCTJWVAAA-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.48
Rot. Bonds4

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

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 40696843) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethylbenzenesulfonamide
PubChem CID40696843
Molecular FormulaC19H17N3O2S2
Molecular Weight383.50 g/mol
Exact Mass383.08
IUPAC NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1
InChIInChI=1S/C19H17N3O2S2/c1-13-3-4-14(2)18(11-13)26(23,24)21-16-7-5-15(6-8-16)17-12-22-9-10-25-19(22)20-17/h3-12,21H,1-2H3
InChIKeyNDAJTSCTJWVAAA-UHFFFAOYSA-N
XLogP4.48
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 7488298
1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea
CID 43936533
4-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide
CID 41427613
1-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)methanesulfonamide
CID 83084144
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-nitrobenzenesulfonamide
CID 121028684
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbenzamide
CID 852128
1-(3-fluoro-4-methylphenyl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea
CID 43936550
2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide
CID 925055
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzenesulfonamide
CID 121028727
2-(2,5-dimethylphenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 26175525
2-methyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-5-nitrobenzenesulfonamide
CID 41427583
1,3-bis[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
CID 170548873

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethylbenzenesulfonamide (CID 40696843) is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)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-dimethylbenzenesulfonamide?
The InChIKey is NDAJTSCTJWVAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c1-13-3-4-14(2)18(11-13)26(23,24)21-16-7-5-15(6-8-16)17-12-22-9-10-25-19(22)20-17/h3-12,21H,1-2H3.
What are the key properties of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethylbenzenesulfonamide?
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 383.50 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-dimethylbenzenesulfonamide is sourced from PubChem (CID 40696843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).