N-(8,9-dimethoxy-3-oxo-5,6-dihydro-[1,3]thiazolo[4,3-a]isoquinolin-1-yl)formamide

C14H14N2O4S — CID 54512538

IUPACN-(8,9-dimethoxy-3-oxo-5,6-dihydro-[1,3]thiazolo[4,3-a]isoquinolin-1-yl)formamide
SMILESCOc1cc2c(cc1OC)-c1c(NC=O)sc(=O)n1CC2
InChIInChI=1S/C14H14N2O4S/c1-19-10-5-8-3-4-16-12(9(8)6-11(10)20-2)13(15-7-17)21-14(16)18/h5-7H,3-4H2,1-2H3,(H,15,17)
InChIKeyYKDSCPYKUDCBSY-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.72
Rot. Bonds4

About N-(8,9-dimethoxy-3-oxo-5,6-dihydro-[1,3]thiazolo[4,3-a]isoquinolin-1-yl)formamide

N-(8,9-dimethoxy-3-oxo-5,6-dihydro-[1,3]thiazolo[4,3-a]isoquinolin-1-yl)formamide (PubChem CID 54512538) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is N-(8,9-dimethoxy-3-oxo-5,6-dihydro-[1,3]thiazolo[4,3-a]isoquinolin-1-yl)formamide.

Molecular Properties

Compound NameN-(8,9-dimethoxy-3-oxo-5,6-dihydro-[1,3]thiazolo[4,3-a]isoquinolin-1-yl)formamide
PubChem CID54512538
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC NameN-(8,9-dimethoxy-3-oxo-5,6-dihydro-[1,3]thiazolo[4,3-a]isoquinolin-1-yl)formamide
SMILESCOc1cc2c(cc1OC)-c1c(NC=O)sc(=O)n1CC2
InChIInChI=1S/C14H14N2O4S/c1-19-10-5-8-3-4-16-12(9(8)6-11(10)20-2)13(15-7-17)21-14(16)18/h5-7H,3-4H2,1-2H3,(H,15,17)
InChIKeyYKDSCPYKUDCBSY-UHFFFAOYSA-N
XLogP1.72
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)formamide
CID 167049883
9,10-dimethoxy-2-(prop-2-enylamino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 2020559
2,3,8-trimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline
CID 45483590
8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylic acid
CID 57077858
2,3,8,9-tetramethoxy-11,12-dihydroquinazolino[3,2-c][3]benzazepine-6,14-dione
CID 12012977
3-ethyl-2-hydroxy-9,10-dimethoxy-6,7-dihydrobenzo[a]quinolizin-4-one
CID 54705679
methyl 3-(3,5-dimethylphenyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate
CID 89464199
1-(1H-imidazol-5-yl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 70810214
8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-3-amine
CID 12748079
1-(3,4-dimethoxyphenyl)-2-hydroxy-9,10-dimethoxy-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 110273739
6,7-dimethoxy-2-methyl-1-methylidene-3,4-dihydroisoquinoline
CID 11063933

Frequently Asked Questions

What is the IUPAC name of N-(8,9-dimethoxy-3-oxo-5,6-dihydro-[1,3]thiazolo[4,3-a]isoquinolin-1-yl)formamide?
The IUPAC name of N-(8,9-dimethoxy-3-oxo-5,6-dihydro-[1,3]thiazolo[4,3-a]isoquinolin-1-yl)formamide (CID 54512538) is N-(8,9-dimethoxy-3-oxo-5,6-dihydro-[1,3]thiazolo[4,3-a]isoquinolin-1-yl)formamide.
What is the SMILES notation for N-(8,9-dimethoxy-3-oxo-5,6-dihydro-[1,3]thiazolo[4,3-a]isoquinolin-1-yl)formamide?
The canonical SMILES for N-(8,9-dimethoxy-3-oxo-5,6-dihydro-[1,3]thiazolo[4,3-a]isoquinolin-1-yl)formamide is COc1cc2c(cc1OC)-c1c(NC=O)sc(=O)n1CC2.
What is the InChIKey of N-(8,9-dimethoxy-3-oxo-5,6-dihydro-[1,3]thiazolo[4,3-a]isoquinolin-1-yl)formamide?
The InChIKey is YKDSCPYKUDCBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-19-10-5-8-3-4-16-12(9(8)6-11(10)20-2)13(15-7-17)21-14(16)18/h5-7H,3-4H2,1-2H3,(H,15,17).
What are the key properties of N-(8,9-dimethoxy-3-oxo-5,6-dihydro-[1,3]thiazolo[4,3-a]isoquinolin-1-yl)formamide?
N-(8,9-dimethoxy-3-oxo-5,6-dihydro-[1,3]thiazolo[4,3-a]isoquinolin-1-yl)formamide has a molecular weight of 306.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8,9-dimethoxy-3-oxo-5,6-dihydro-[1,3]thiazolo[4,3-a]isoquinolin-1-yl)formamide is sourced from PubChem (CID 54512538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).