2-propyl-8-(4-propyltriazol-1-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine

C18H20N6S — CID 71551819

IUPAC2-propyl-8-(4-propyltriazol-1-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine
SMILESCCCc1cn(-c2ccc3nc(N)c4nc(CCC)sc4c3c2)nn1
InChIInChI=1S/C18H20N6S/c1-3-5-11-10-24(23-22-11)12-7-8-14-13(9-12)17-16(18(19)20-14)21-15(25-17)6-4-2/h7-10H,3-6H2,1-2H3,(H2,19,20)
InChIKeyXAGODDCTOVGBEF-UHFFFAOYSA-N
MW352.47 g/mol
LogP3.91
Rot. Bonds5

About 2-propyl-8-(4-propyltriazol-1-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine

2-propyl-8-(4-propyltriazol-1-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine (PubChem CID 71551819) has the molecular formula C18H20N6S and a molecular weight of 352.47 g/mol. Its IUPAC name is 2-propyl-8-(4-propyltriazol-1-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-propyl-8-(4-propyltriazol-1-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine
PubChem CID71551819
Molecular FormulaC18H20N6S
Molecular Weight352.47 g/mol
Exact Mass352.15
IUPAC Name2-propyl-8-(4-propyltriazol-1-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine
SMILESCCCc1cn(-c2ccc3nc(N)c4nc(CCC)sc4c3c2)nn1
InChIInChI=1S/C18H20N6S/c1-3-5-11-10-24(23-22-11)12-7-8-14-13(9-12)17-16(18(19)20-14)21-15(25-17)6-4-2/h7-10H,3-6H2,1-2H3,(H2,19,20)
InChIKeyXAGODDCTOVGBEF-UHFFFAOYSA-N
XLogP3.91
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-8-(4-propyltriazol-1-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-propyl-8-(4-propyltriazol-1-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine (CID 71551819) is 2-propyl-8-(4-propyltriazol-1-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-propyl-8-(4-propyltriazol-1-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-propyl-8-(4-propyltriazol-1-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine is CCCc1cn(-c2ccc3nc(N)c4nc(CCC)sc4c3c2)nn1.
What is the InChIKey of 2-propyl-8-(4-propyltriazol-1-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The InChIKey is XAGODDCTOVGBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6S/c1-3-5-11-10-24(23-22-11)12-7-8-14-13(9-12)17-16(18(19)20-14)21-15(25-17)6-4-2/h7-10H,3-6H2,1-2H3,(H2,19,20).
What are the key properties of 2-propyl-8-(4-propyltriazol-1-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine?
2-propyl-8-(4-propyltriazol-1-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine has a molecular weight of 352.47 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-8-(4-propyltriazol-1-yl)-[1,3]thiazolo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 71551819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).