2-(3-fluorophenyl)-4,4,6-trimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione

C19H17FN2S2 — CID 999683

IUPAC2-(3-fluorophenyl)-4,4,6-trimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione
SMILESCc1cccc2c1NC(C)(C)c1sn(-c3cccc(F)c3)c(=S)c1-2
InChIInChI=1S/C19H17FN2S2/c1-11-6-4-9-14-15-17(19(2,3)21-16(11)14)24-22(18(15)23)13-8-5-7-12(20)10-13/h4-10,21H,1-3H3
InChIKeyMRZDJRGRTBEBPT-UHFFFAOYSA-N
MW356.49 g/mol
LogP6.04
Rot. Bonds1

About 2-(3-fluorophenyl)-4,4,6-trimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione

2-(3-fluorophenyl)-4,4,6-trimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione (PubChem CID 999683) has the molecular formula C19H17FN2S2 and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4,4,6-trimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4,4,6-trimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione
PubChem CID999683
Molecular FormulaC19H17FN2S2
Molecular Weight356.49 g/mol
Exact Mass356.08
IUPAC Name2-(3-fluorophenyl)-4,4,6-trimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione
SMILESCc1cccc2c1NC(C)(C)c1sn(-c3cccc(F)c3)c(=S)c1-2
InChIInChI=1S/C19H17FN2S2/c1-11-6-4-9-14-15-17(19(2,3)21-16(11)14)24-22(18(15)23)13-8-5-7-12(20)10-13/h4-10,21H,1-3H3
InChIKeyMRZDJRGRTBEBPT-UHFFFAOYSA-N
XLogP6.04
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.49
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_N_65A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4,4,6-trimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione?
The IUPAC name of 2-(3-fluorophenyl)-4,4,6-trimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione (CID 999683) is 2-(3-fluorophenyl)-4,4,6-trimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione.
What is the SMILES notation for 2-(3-fluorophenyl)-4,4,6-trimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione?
The canonical SMILES for 2-(3-fluorophenyl)-4,4,6-trimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione is Cc1cccc2c1NC(C)(C)c1sn(-c3cccc(F)c3)c(=S)c1-2.
What is the InChIKey of 2-(3-fluorophenyl)-4,4,6-trimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione?
The InChIKey is MRZDJRGRTBEBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2S2/c1-11-6-4-9-14-15-17(19(2,3)21-16(11)14)24-22(18(15)23)13-8-5-7-12(20)10-13/h4-10,21H,1-3H3.
What are the key properties of 2-(3-fluorophenyl)-4,4,6-trimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione?
2-(3-fluorophenyl)-4,4,6-trimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione has a molecular weight of 356.49 g/mol, XLogP of 6.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4,4,6-trimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione is sourced from PubChem (CID 999683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).