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

C13H10F3N3S — CID 71551814

IUPAC2-(3,3,3-trifluoropropyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine
SMILESNc1nc2ccccc2c2sc(CCC(F)(F)F)nc12
InChIInChI=1S/C13H10F3N3S/c14-13(15,16)6-5-9-19-10-11(20-9)7-3-1-2-4-8(7)18-12(10)17/h1-4H,5-6H2,(H2,17,18)
InChIKeyZIHGPNYYJZEIIK-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.92
Rot. Bonds2

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

2-(3,3,3-trifluoropropyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine (PubChem CID 71551814) has the molecular formula C13H10F3N3S and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine
PubChem CID71551814
Molecular FormulaC13H10F3N3S
Molecular Weight297.31 g/mol
Exact Mass297.05
IUPAC Name2-(3,3,3-trifluoropropyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine
SMILESNc1nc2ccccc2c2sc(CCC(F)(F)F)nc12
InChIInChI=1S/C13H10F3N3S/c14-13(15,16)6-5-9-19-10-11(20-9)7-3-1-2-4-8(7)18-12(10)17/h1-4H,5-6H2,(H2,17,18)
InChIKeyZIHGPNYYJZEIIK-UHFFFAOYSA-N
XLogP3.92
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3M-002
CID 10198719
2-(methylthio)-N-(3-(trifluoromethyl)phenyl)thiazolo[5,4-b]quinolin-9-amine
CID 44456350
2-(4-Fluorophenyl)-5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine
CID 73346098
2-N-[3-(diethylamino)propyl]-9-N-phenyl-[1,3]thiazolo[5,4-b]quinoline-2,9-diamine
CID 44574762
2-(3,5-Difluorophenyl)thieno[3,2-b]quinoxaline
CID 118712789
N-quinolin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 137647678
2-Methylthiazolo[4,5-c]quinolin-4-amine
CID 9815783
2-(2-Methylpropyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine
CID 9816562
2-Butyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
CID 9838014
2-Pentylthiazolo[4,5-c]quinolin-4-amine
CID 9838345
2-Ethylthiazolo[4,5-c]quinolin-4-amine
CID 9964620
2-Propan-2-yl-[1,3]thiazolo[4,5-c]quinolin-4-amine
CID 10220461

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-(3,3,3-trifluoropropyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine (CID 71551814) is 2-(3,3,3-trifluoropropyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-(3,3,3-trifluoropropyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-(3,3,3-trifluoropropyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine is Nc1nc2ccccc2c2sc(CCC(F)(F)F)nc12.
What is the InChIKey of 2-(3,3,3-trifluoropropyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The InChIKey is ZIHGPNYYJZEIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3S/c14-13(15,16)6-5-9-19-10-11(20-9)7-3-1-2-4-8(7)18-12(10)17/h1-4H,5-6H2,(H2,17,18).
What are the key properties of 2-(3,3,3-trifluoropropyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine?
2-(3,3,3-trifluoropropyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine has a molecular weight of 297.31 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropyl)-[1,3]thiazolo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 71551814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).