4-methyl-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)benzenesulfonamide

C20H19N3O2S2 — CID 71551048

IUPAC4-methyl-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)benzenesulfonamide
SMILESCCCc1nc2c(NS(=O)(=O)c3ccc(C)cc3)nc3ccccc3c2s1
InChIInChI=1S/C20H19N3O2S2/c1-3-6-17-22-18-19(26-17)15-7-4-5-8-16(15)21-20(18)23-27(24,25)14-11-9-13(2)10-12-14/h4-5,7-12H,3,6H2,1-2H3,(H,21,23)
InChIKeyMDXJGFORIWWRGZ-UHFFFAOYSA-N
MW397.53 g/mol
LogP4.91
Rot. Bonds5

About 4-methyl-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)benzenesulfonamide

4-methyl-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)benzenesulfonamide (PubChem CID 71551048) has the molecular formula C20H19N3O2S2 and a molecular weight of 397.53 g/mol. Its IUPAC name is 4-methyl-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)benzenesulfonamide
PubChem CID71551048
Molecular FormulaC20H19N3O2S2
Molecular Weight397.53 g/mol
Exact Mass397.09
IUPAC Name4-methyl-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)benzenesulfonamide
SMILESCCCc1nc2c(NS(=O)(=O)c3ccc(C)cc3)nc3ccccc3c2s1
InChIInChI=1S/C20H19N3O2S2/c1-3-6-17-22-18-19(26-17)15-7-4-5-8-16(15)21-20(18)23-27(24,25)14-11-9-13(2)10-12-14/h4-5,7-12H,3,6H2,1-2H3,(H,21,23)
InChIKeyMDXJGFORIWWRGZ-UHFFFAOYSA-N
XLogP4.91
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
CID 168796205
4-chloro-2-propyl-[1,3]thiazolo[4,5-c]quinoline
CID 71551696
N-(2-butyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)formamide
CID 71551050
N-(4-amino-3-methylquinolin-2-yl)-4-methylbenzenesulfonamide
CID 141482671
4-methyl-N-[3-(pentylamino)quinoxalin-2-yl]benzenesulfonamide
CID 3340734
4-methyl-N-(4-propylquinolin-3-yl)benzenesulfonamide
CID 164678226
N-[4-amino-3-(4-ethylphenyl)quinolin-2-yl]-4-methylbenzenesulfonamide
CID 141482670
N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]-4-methylbenzenesulfonamide
CID 101455939
4-methyl-N-[3-(3-methylpyridin-1-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 3656930
N-[3-(cyclopentylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 7456715
N-[3-[4-(diethylsulfamoyl)anilino]quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 2319111
N-[3-[(2-ethoxyphenyl)methyl]quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 58373519

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)benzenesulfonamide (CID 71551048) is 4-methyl-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)benzenesulfonamide is CCCc1nc2c(NS(=O)(=O)c3ccc(C)cc3)nc3ccccc3c2s1.
What is the InChIKey of 4-methyl-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)benzenesulfonamide?
The InChIKey is MDXJGFORIWWRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S2/c1-3-6-17-22-18-19(26-17)15-7-4-5-8-16(15)21-20(18)23-27(24,25)14-11-9-13(2)10-12-14/h4-5,7-12H,3,6H2,1-2H3,(H,21,23).
What are the key properties of 4-methyl-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)benzenesulfonamide?
4-methyl-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)benzenesulfonamide has a molecular weight of 397.53 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)benzenesulfonamide is sourced from PubChem (CID 71551048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).