4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide

C24H23N7O2S2 — CID 3128435

IUPAC4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1ccn2c(-c3csc(Nc4ccc(S(=O)(=O)Nc5nc(C)cc(C)n5)cc4)n3)c(C)nc2c1
InChIInChI=1S/C24H23N7O2S2/c1-14-9-10-31-21(11-14)27-17(4)22(31)20-13-34-24(29-20)28-18-5-7-19(8-6-18)35(32,33)30-23-25-15(2)12-16(3)26-23/h5-13H,1-4H3,(H,28,29)(H,25,26,30)
InChIKeyMJSBCENIFOBDMJ-UHFFFAOYSA-N
MW505.63 g/mol
LogP5.03
Rot. Bonds6

About 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide

4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 3128435) has the molecular formula C24H23N7O2S2 and a molecular weight of 505.63 g/mol. Its IUPAC name is 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
PubChem CID3128435
Molecular FormulaC24H23N7O2S2
Molecular Weight505.63 g/mol
Exact Mass505.14
IUPAC Name4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1ccn2c(-c3csc(Nc4ccc(S(=O)(=O)Nc5nc(C)cc(C)n5)cc4)n3)c(C)nc2c1
InChIInChI=1S/C24H23N7O2S2/c1-14-9-10-31-21(11-14)27-17(4)22(31)20-13-34-24(29-20)28-18-5-7-19(8-6-18)35(32,33)30-23-25-15(2)12-16(3)26-23/h5-13H,1-4H3,(H,28,29)(H,25,26,30)
InChIKeyMJSBCENIFOBDMJ-UHFFFAOYSA-N
XLogP5.03
TPSA114.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.63
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide with MolForge

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Related Compounds

N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide
CID 171669303
4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate
CID 6968515
4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)-1,3-thiazol-2-amine;hydrobromide
CID 122509674
4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 1117208
N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 3128431
4-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 6737929
4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 1117219
4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;hydrobromide
CID 171669300
4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(2-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 126478311
N-(2-chlorophenyl)-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide
CID 126478306
N-(5-chloro-2-methoxyphenyl)-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
CID 1144673
methyl 2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylate
CID 58163718

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (CID 3128435) is 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide is Cc1ccn2c(-c3csc(Nc4ccc(S(=O)(=O)Nc5nc(C)cc(C)n5)cc4)n3)c(C)nc2c1.
What is the InChIKey of 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is MJSBCENIFOBDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2S2/c1-14-9-10-31-21(11-14)27-17(4)22(31)20-13-34-24(29-20)28-18-5-7-19(8-6-18)35(32,33)30-23-25-15(2)12-16(3)26-23/h5-13H,1-4H3,(H,28,29)(H,25,26,30).
What are the key properties of 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 505.63 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 3128435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).