4-(8-fluoro-4,7-dimethoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine

C17H18FN3O2S — CID 90047187

IUPAC4-(8-fluoro-4,7-dimethoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCOc1ccc2c(OC)cc(-c3csc(NC(C)C)n3)nc2c1F
InChIInChI=1S/C17H18FN3O2S/c1-9(2)19-17-21-12(8-24-17)11-7-14(23-4)10-5-6-13(22-3)15(18)16(10)20-11/h5-9H,1-4H3,(H,19,21)
InChIKeySTAXIAAQMBCDAE-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.33
Rot. Bonds5

About 4-(8-fluoro-4,7-dimethoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine

4-(8-fluoro-4,7-dimethoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 90047187) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-(8-fluoro-4,7-dimethoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(8-fluoro-4,7-dimethoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID90047187
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC Name4-(8-fluoro-4,7-dimethoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCOc1ccc2c(OC)cc(-c3csc(NC(C)C)n3)nc2c1F
InChIInChI=1S/C17H18FN3O2S/c1-9(2)19-17-21-12(8-24-17)11-7-14(23-4)10-5-6-13(22-3)15(18)16(10)20-11/h5-9H,1-4H3,(H,19,21)
InChIKeySTAXIAAQMBCDAE-UHFFFAOYSA-N
XLogP4.33
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(8-fluoro-4,7-dimethoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(8-fluoro-4,7-dimethoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine (CID 90047187) is 4-(8-fluoro-4,7-dimethoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(8-fluoro-4,7-dimethoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(8-fluoro-4,7-dimethoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine is COc1ccc2c(OC)cc(-c3csc(NC(C)C)n3)nc2c1F.
What is the InChIKey of 4-(8-fluoro-4,7-dimethoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is STAXIAAQMBCDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c1-9(2)19-17-21-12(8-24-17)11-7-14(23-4)10-5-6-13(22-3)15(18)16(10)20-11/h5-9H,1-4H3,(H,19,21).
What are the key properties of 4-(8-fluoro-4,7-dimethoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine?
4-(8-fluoro-4,7-dimethoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 347.42 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-fluoro-4,7-dimethoxyquinolin-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 90047187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).