7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine

C18H22N4O3S2 — CID 59868943

IUPAC7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
SMILESCCCc1nc2c(N)nc3cc(OCCN4CCCS4(=O)=O)ccc3c2s1
InChIInChI=1S/C18H22N4O3S2/c1-2-4-15-21-16-17(26-15)13-6-5-12(11-14(13)20-18(16)19)25-9-8-22-7-3-10-27(22,23)24/h5-6,11H,2-4,7-10H2,1H3,(H2,19,20)
InChIKeyOMMZENXQKCHJRB-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.79
Rot. Bonds6

About 7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine

7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine (PubChem CID 59868943) has the molecular formula C18H22N4O3S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
PubChem CID59868943
Molecular FormulaC18H22N4O3S2
Molecular Weight406.53 g/mol
Exact Mass406.11
IUPAC Name7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
SMILESCCCc1nc2c(N)nc3cc(OCCN4CCCS4(=O)=O)ccc3c2s1
InChIInChI=1S/C18H22N4O3S2/c1-2-4-15-21-16-17(26-15)13-6-5-12(11-14(13)20-18(16)19)25-9-8-22-7-3-10-27(22,23)24/h5-6,11H,2-4,7-10H2,1H3,(H2,19,20)
InChIKeyOMMZENXQKCHJRB-UHFFFAOYSA-N
XLogP2.79
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The IUPAC name of 7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine (CID 59868943) is 7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The canonical SMILES for 7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine is CCCc1nc2c(N)nc3cc(OCCN4CCCS4(=O)=O)ccc3c2s1.
What is the InChIKey of 7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The InChIKey is OMMZENXQKCHJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S2/c1-2-4-15-21-16-17(26-15)13-6-5-12(11-14(13)20-18(16)19)25-9-8-22-7-3-10-27(22,23)24/h5-6,11H,2-4,7-10H2,1H3,(H2,19,20).
What are the key properties of 7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine has a molecular weight of 406.53 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 59868943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).