6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one

C17H18N2O2S — CID 58212954

IUPAC6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one
SMILESCOc1ccc2c(=O)[nH]c(-c3nc(C(C)C)cs3)cc2c1C
InChIInChI=1S/C17H18N2O2S/c1-9(2)14-8-22-17(19-14)13-7-12-10(3)15(21-4)6-5-11(12)16(20)18-13/h5-9H,1-4H3,(H,18,20)
InChIKeyGTSRYDTUECMZGG-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.09
Rot. Bonds3

About 6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one

6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one (PubChem CID 58212954) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one
PubChem CID58212954
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one
SMILESCOc1ccc2c(=O)[nH]c(-c3nc(C(C)C)cs3)cc2c1C
InChIInChI=1S/C17H18N2O2S/c1-9(2)14-8-22-17(19-14)13-7-12-10(3)15(21-4)6-5-11(12)16(20)18-13/h5-9H,1-4H3,(H,18,20)
InChIKeyGTSRYDTUECMZGG-UHFFFAOYSA-N
XLogP4.09
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one with MolForge

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Related Compounds

4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 852133
4-[2-[(3-Methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylbenzamide
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4-ethoxy-N-{2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl}benzamide
CID 7287491
N-[1-(4-methoxyphenyl)-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethyl]acetamide
CID 46942488
3-[2-[1-acetamido-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]-N,N-diethylbenzamide
CID 46944192
3-[2-[acetamido-(3-methoxyphenyl)methyl]-4-thiazolyl]-N,N-diethylbenzamide
CID 46948394
N-[1-(4-methoxyphenyl)-1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]acetamide
CID 49790340
N-[1-[4-[3-(methoxymethyl)phenyl]-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethyl]acetamide
CID 49792767
N-cyclohexyl-4-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 56668928
1-[2,3-Dimethyl-4-[(4-phenyl-1,3-thiazol-2-yl)methoxy]phenyl]-2-methylprop-2-en-1-one
CID 57384081
N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 127046697
4-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7152315

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one?
The IUPAC name of 6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one (CID 58212954) is 6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one.
What is the SMILES notation for 6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one?
The canonical SMILES for 6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one is COc1ccc2c(=O)[nH]c(-c3nc(C(C)C)cs3)cc2c1C.
What is the InChIKey of 6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one?
The InChIKey is GTSRYDTUECMZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-9(2)14-8-22-17(19-14)13-7-12-10(3)15(21-4)6-5-11(12)16(20)18-13/h5-9H,1-4H3,(H,18,20).
What are the key properties of 6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one?
6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one has a molecular weight of 314.41 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one is sourced from PubChem (CID 58212954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).