2-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-8-sulfonamide

C23H18N4O2S2 — CID 121025177

IUPAC2-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-8-sulfonamide
SMILESCc1ccc2cccc(S(=O)(=O)Nc3ccc(-c4nc5cccnc5s4)cc3C)c2n1
InChIInChI=1S/C23H18N4O2S2/c1-14-13-17(22-26-19-6-4-12-24-23(19)30-22)10-11-18(14)27-31(28,29)20-7-3-5-16-9-8-15(2)25-21(16)20/h3-13,27H,1-2H3
InChIKeyCSLOWUZXFMJRII-UHFFFAOYSA-N
MW446.56 g/mol
LogP5.32
Rot. Bonds4

About 2-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-8-sulfonamide

2-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-8-sulfonamide (PubChem CID 121025177) has the molecular formula C23H18N4O2S2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-8-sulfonamide
PubChem CID121025177
Molecular FormulaC23H18N4O2S2
Molecular Weight446.56 g/mol
Exact Mass446.09
IUPAC Name2-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-8-sulfonamide
SMILESCc1ccc2cccc(S(=O)(=O)Nc3ccc(-c4nc5cccnc5s4)cc3C)c2n1
InChIInChI=1S/C23H18N4O2S2/c1-14-13-17(22-26-19-6-4-12-24-23(19)30-22)10-11-18(14)27-31(28,29)20-7-3-5-16-9-8-15(2)25-21(16)20/h3-13,27H,1-2H3
InChIKeyCSLOWUZXFMJRII-UHFFFAOYSA-N
XLogP5.32
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.56
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 121025164
5-bromo-2-methoxy-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 121025140
2-fluoro-4-methoxy-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 40998555
4-acetyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 16800845
4-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3,5-dinitrobenzenesulfonamide
CID 40998580
(E)-2-(4-methylphenyl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]ethenesulfonamide
CID 121025158
4-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 16806807
4-iodo-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 40998612
N-(2,4-dimethylphenyl)quinoline-8-sulfonamide
CID 4067742
2,4-dimethyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 16806793
2,4,5-trimethyl-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 16806801
N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 40998603

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-8-sulfonamide?
The IUPAC name of 2-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-8-sulfonamide (CID 121025177) is 2-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for 2-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-8-sulfonamide?
The canonical SMILES for 2-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-8-sulfonamide is Cc1ccc2cccc(S(=O)(=O)Nc3ccc(-c4nc5cccnc5s4)cc3C)c2n1.
What is the InChIKey of 2-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-8-sulfonamide?
The InChIKey is CSLOWUZXFMJRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2S2/c1-14-13-17(22-26-19-6-4-12-24-23(19)30-22)10-11-18(14)27-31(28,29)20-7-3-5-16-9-8-15(2)25-21(16)20/h3-13,27H,1-2H3.
What are the key properties of 2-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-8-sulfonamide?
2-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-8-sulfonamide has a molecular weight of 446.56 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 121025177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).