2-ethyl-7-[[5-(trifluoromethyl)furan-2-yl]methoxy]-[1,3]thiazolo[4,5-c]quinolin-4-amine

C18H14F3N3O2S — CID 58965026

IUPAC2-ethyl-7-[[5-(trifluoromethyl)furan-2-yl]methoxy]-[1,3]thiazolo[4,5-c]quinolin-4-amine
SMILESCCc1nc2c(N)nc3cc(OCc4ccc(C(F)(F)F)o4)ccc3c2s1
InChIInChI=1S/C18H14F3N3O2S/c1-2-14-24-15-16(27-14)11-5-3-9(7-12(11)23-17(15)22)25-8-10-4-6-13(26-10)18(19,20)21/h3-7H,2,8H2,1H3,(H2,22,23)
InChIKeyJZJVLFRJLRYUHH-UHFFFAOYSA-N
MW393.39 g/mol
LogP5.18
Rot. Bonds4

About 2-ethyl-7-[[5-(trifluoromethyl)furan-2-yl]methoxy]-[1,3]thiazolo[4,5-c]quinolin-4-amine

2-ethyl-7-[[5-(trifluoromethyl)furan-2-yl]methoxy]-[1,3]thiazolo[4,5-c]quinolin-4-amine (PubChem CID 58965026) has the molecular formula C18H14F3N3O2S and a molecular weight of 393.39 g/mol. Its IUPAC name is 2-ethyl-7-[[5-(trifluoromethyl)furan-2-yl]methoxy]-[1,3]thiazolo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-ethyl-7-[[5-(trifluoromethyl)furan-2-yl]methoxy]-[1,3]thiazolo[4,5-c]quinolin-4-amine
PubChem CID58965026
Molecular FormulaC18H14F3N3O2S
Molecular Weight393.39 g/mol
Exact Mass393.08
IUPAC Name2-ethyl-7-[[5-(trifluoromethyl)furan-2-yl]methoxy]-[1,3]thiazolo[4,5-c]quinolin-4-amine
SMILESCCc1nc2c(N)nc3cc(OCc4ccc(C(F)(F)F)o4)ccc3c2s1
InChIInChI=1S/C18H14F3N3O2S/c1-2-14-24-15-16(27-14)11-5-3-9(7-12(11)23-17(15)22)25-8-10-4-6-13(26-10)18(19,20)21/h3-7H,2,8H2,1H3,(H2,22,23)
InChIKeyJZJVLFRJLRYUHH-UHFFFAOYSA-N
XLogP5.18
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.39
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-[[5-(trifluoromethyl)furan-2-yl]methoxy]-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-ethyl-7-[[5-(trifluoromethyl)furan-2-yl]methoxy]-[1,3]thiazolo[4,5-c]quinolin-4-amine (CID 58965026) is 2-ethyl-7-[[5-(trifluoromethyl)furan-2-yl]methoxy]-[1,3]thiazolo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-ethyl-7-[[5-(trifluoromethyl)furan-2-yl]methoxy]-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-ethyl-7-[[5-(trifluoromethyl)furan-2-yl]methoxy]-[1,3]thiazolo[4,5-c]quinolin-4-amine is CCc1nc2c(N)nc3cc(OCc4ccc(C(F)(F)F)o4)ccc3c2s1.
What is the InChIKey of 2-ethyl-7-[[5-(trifluoromethyl)furan-2-yl]methoxy]-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The InChIKey is JZJVLFRJLRYUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2S/c1-2-14-24-15-16(27-14)11-5-3-9(7-12(11)23-17(15)22)25-8-10-4-6-13(26-10)18(19,20)21/h3-7H,2,8H2,1H3,(H2,22,23).
What are the key properties of 2-ethyl-7-[[5-(trifluoromethyl)furan-2-yl]methoxy]-[1,3]thiazolo[4,5-c]quinolin-4-amine?
2-ethyl-7-[[5-(trifluoromethyl)furan-2-yl]methoxy]-[1,3]thiazolo[4,5-c]quinolin-4-amine has a molecular weight of 393.39 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-[[5-(trifluoromethyl)furan-2-yl]methoxy]-[1,3]thiazolo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 58965026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).