8-methoxy-2-(3-methoxyphenyl)-4,4-dimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione

C20H20N2O2S2 — CID 1000184

IUPAC8-methoxy-2-(3-methoxyphenyl)-4,4-dimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione
SMILESCOc1cccc(-n2sc3c(c2=S)-c2cc(OC)ccc2NC3(C)C)c1
InChIInChI=1S/C20H20N2O2S2/c1-20(2)18-17(15-11-14(24-4)8-9-16(15)21-20)19(25)22(26-18)12-6-5-7-13(10-12)23-3/h5-11,21H,1-4H3
InChIKeyWUQGIMAERBVRGJ-UHFFFAOYSA-N
MW384.53 g/mol
LogP5.61
Rot. Bonds3

About 8-methoxy-2-(3-methoxyphenyl)-4,4-dimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione

8-methoxy-2-(3-methoxyphenyl)-4,4-dimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione (PubChem CID 1000184) has the molecular formula C20H20N2O2S2 and a molecular weight of 384.53 g/mol. Its IUPAC name is 8-methoxy-2-(3-methoxyphenyl)-4,4-dimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione.

Molecular Properties

Compound Name8-methoxy-2-(3-methoxyphenyl)-4,4-dimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione
PubChem CID1000184
Molecular FormulaC20H20N2O2S2
Molecular Weight384.53 g/mol
Exact Mass384.10
IUPAC Name8-methoxy-2-(3-methoxyphenyl)-4,4-dimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione
SMILESCOc1cccc(-n2sc3c(c2=S)-c2cc(OC)ccc2NC3(C)C)c1
InChIInChI=1S/C20H20N2O2S2/c1-20(2)18-17(15-11-14(24-4)8-9-16(15)21-20)19(25)22(26-18)12-6-5-7-13(10-12)23-3/h5-11,21H,1-4H3
InChIKeyWUQGIMAERBVRGJ-UHFFFAOYSA-N
XLogP5.61
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.53
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-2-(3-methoxyphenyl)-4,4-dimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione?
The IUPAC name of 8-methoxy-2-(3-methoxyphenyl)-4,4-dimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione (CID 1000184) is 8-methoxy-2-(3-methoxyphenyl)-4,4-dimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione.
What is the SMILES notation for 8-methoxy-2-(3-methoxyphenyl)-4,4-dimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione?
The canonical SMILES for 8-methoxy-2-(3-methoxyphenyl)-4,4-dimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione is COc1cccc(-n2sc3c(c2=S)-c2cc(OC)ccc2NC3(C)C)c1.
What is the InChIKey of 8-methoxy-2-(3-methoxyphenyl)-4,4-dimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione?
The InChIKey is WUQGIMAERBVRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S2/c1-20(2)18-17(15-11-14(24-4)8-9-16(15)21-20)19(25)22(26-18)12-6-5-7-13(10-12)23-3/h5-11,21H,1-4H3.
What are the key properties of 8-methoxy-2-(3-methoxyphenyl)-4,4-dimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione?
8-methoxy-2-(3-methoxyphenyl)-4,4-dimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione has a molecular weight of 384.53 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-(3-methoxyphenyl)-4,4-dimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione is sourced from PubChem (CID 1000184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).