2-(4,4,4-trifluorobutyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine

C14H12F3N3S — CID 71551815

IUPAC2-(4,4,4-trifluorobutyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine
SMILESNc1nc2ccccc2c2sc(CCCC(F)(F)F)nc12
InChIInChI=1S/C14H12F3N3S/c15-14(16,17)7-3-6-10-20-11-12(21-10)8-4-1-2-5-9(8)19-13(11)18/h1-2,4-5H,3,6-7H2,(H2,18,19)
InChIKeyQOWMCPSFUNODQZ-UHFFFAOYSA-N
MW311.33 g/mol
LogP4.31
Rot. Bonds3

About 2-(4,4,4-trifluorobutyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine

2-(4,4,4-trifluorobutyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine (PubChem CID 71551815) has the molecular formula C14H12F3N3S and a molecular weight of 311.33 g/mol. Its IUPAC name is 2-(4,4,4-trifluorobutyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-(4,4,4-trifluorobutyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine
PubChem CID71551815
Molecular FormulaC14H12F3N3S
Molecular Weight311.33 g/mol
Exact Mass311.07
IUPAC Name2-(4,4,4-trifluorobutyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine
SMILESNc1nc2ccccc2c2sc(CCCC(F)(F)F)nc12
InChIInChI=1S/C14H12F3N3S/c15-14(16,17)7-3-6-10-20-11-12(21-10)8-4-1-2-5-9(8)19-13(11)18/h1-2,4-5H,3,6-7H2,(H2,18,19)
InChIKeyQOWMCPSFUNODQZ-UHFFFAOYSA-N
XLogP4.31
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4,4-trifluorobutyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-(4,4,4-trifluorobutyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine (CID 71551815) is 2-(4,4,4-trifluorobutyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-(4,4,4-trifluorobutyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-(4,4,4-trifluorobutyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine is Nc1nc2ccccc2c2sc(CCCC(F)(F)F)nc12.
What is the InChIKey of 2-(4,4,4-trifluorobutyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The InChIKey is QOWMCPSFUNODQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3S/c15-14(16,17)7-3-6-10-20-11-12(21-10)8-4-1-2-5-9(8)19-13(11)18/h1-2,4-5H,3,6-7H2,(H2,18,19).
What are the key properties of 2-(4,4,4-trifluorobutyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine?
2-(4,4,4-trifluorobutyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine has a molecular weight of 311.33 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,4-trifluorobutyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 71551815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).