8-methoxy-4,4-dimethyl-2-phenyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione

C19H18N2OS2 — CID 1000186

IUPAC8-methoxy-4,4-dimethyl-2-phenyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione
SMILESCOc1ccc2c(c1)-c1c(sn(-c3ccccc3)c1=S)C(C)(C)N2
InChIInChI=1S/C19H18N2OS2/c1-19(2)17-16(14-11-13(22-3)9-10-15(14)20-19)18(23)21(24-17)12-7-5-4-6-8-12/h4-11,20H,1-3H3
InChIKeyOSCXEQXDSDJNKX-UHFFFAOYSA-N
MW354.50 g/mol
LogP5.60
Rot. Bonds2

About 8-methoxy-4,4-dimethyl-2-phenyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione

8-methoxy-4,4-dimethyl-2-phenyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione (PubChem CID 1000186) has the molecular formula C19H18N2OS2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 8-methoxy-4,4-dimethyl-2-phenyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione.

Molecular Properties

Compound Name8-methoxy-4,4-dimethyl-2-phenyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione
PubChem CID1000186
Molecular FormulaC19H18N2OS2
Molecular Weight354.50 g/mol
Exact Mass354.09
IUPAC Name8-methoxy-4,4-dimethyl-2-phenyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione
SMILESCOc1ccc2c(c1)-c1c(sn(-c3ccccc3)c1=S)C(C)(C)N2
InChIInChI=1S/C19H18N2OS2/c1-19(2)17-16(14-11-13(22-3)9-10-15(14)20-19)18(23)21(24-17)12-7-5-4-6-8-12/h4-11,20H,1-3H3
InChIKeyOSCXEQXDSDJNKX-UHFFFAOYSA-N
XLogP5.60
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'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 8-methoxy-4,4-dimethyl-2-phenyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione?
The IUPAC name of 8-methoxy-4,4-dimethyl-2-phenyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione (CID 1000186) is 8-methoxy-4,4-dimethyl-2-phenyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione.
What is the SMILES notation for 8-methoxy-4,4-dimethyl-2-phenyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione?
The canonical SMILES for 8-methoxy-4,4-dimethyl-2-phenyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione is COc1ccc2c(c1)-c1c(sn(-c3ccccc3)c1=S)C(C)(C)N2.
What is the InChIKey of 8-methoxy-4,4-dimethyl-2-phenyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione?
The InChIKey is OSCXEQXDSDJNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS2/c1-19(2)17-16(14-11-13(22-3)9-10-15(14)20-19)18(23)21(24-17)12-7-5-4-6-8-12/h4-11,20H,1-3H3.
What are the key properties of 8-methoxy-4,4-dimethyl-2-phenyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione?
8-methoxy-4,4-dimethyl-2-phenyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione has a molecular weight of 354.50 g/mol, XLogP of 5.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4,4-dimethyl-2-phenyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione is sourced from PubChem (CID 1000186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).