[2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide

C20H20N4O2S2 — CID 68668474

IUPAC[2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide
SMILESCCCc1nc2c(N)nc3cc(-c4ccccc4CS(N)(=O)=O)ccc3c2s1
InChIInChI=1S/C20H20N4O2S2/c1-2-5-17-24-18-19(27-17)15-9-8-12(10-16(15)23-20(18)21)14-7-4-3-6-13(14)11-28(22,25)26/h3-4,6-10H,2,5,11H2,1H3,(H2,21,23)(H2,22,25,26)
InChIKeyKKHNWXAFKIJFIJ-UHFFFAOYSA-N
MW412.54 g/mol
LogP3.83
Rot. Bonds5

About [2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide

[2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide (PubChem CID 68668474) has the molecular formula C20H20N4O2S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is [2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name[2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide
PubChem CID68668474
Molecular FormulaC20H20N4O2S2
Molecular Weight412.54 g/mol
Exact Mass412.10
IUPAC Name[2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide
SMILESCCCc1nc2c(N)nc3cc(-c4ccccc4CS(N)(=O)=O)ccc3c2s1
InChIInChI=1S/C20H20N4O2S2/c1-2-5-17-24-18-19(27-17)15-9-8-12(10-16(15)23-20(18)21)14-7-4-3-6-13(14)11-28(22,25)26/h3-4,6-10H,2,5,11H2,1H3,(H2,21,23)(H2,22,25,26)
InChIKeyKKHNWXAFKIJFIJ-UHFFFAOYSA-N
XLogP3.83
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide?
The IUPAC name of [2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide (CID 68668474) is [2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide.
What is the SMILES notation for [2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide?
The canonical SMILES for [2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide is CCCc1nc2c(N)nc3cc(-c4ccccc4CS(N)(=O)=O)ccc3c2s1.
What is the InChIKey of [2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide?
The InChIKey is KKHNWXAFKIJFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S2/c1-2-5-17-24-18-19(27-17)15-9-8-12(10-16(15)23-20(18)21)14-7-4-3-6-13(14)11-28(22,25)26/h3-4,6-10H,2,5,11H2,1H3,(H2,21,23)(H2,22,25,26).
What are the key properties of [2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide?
[2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide has a molecular weight of 412.54 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 68668474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).