6,7-dimethoxy-2-(5-methyl-1,3-thiazol-2-yl)-3H-isoindol-1-one

C14H14N2O3S — CID 889932

IUPAC6,7-dimethoxy-2-(5-methyl-1,3-thiazol-2-yl)-3H-isoindol-1-one
SMILESCOc1ccc2c(c1OC)C(=O)N(c1ncc(C)s1)C2
InChIInChI=1S/C14H14N2O3S/c1-8-6-15-14(20-8)16-7-9-4-5-10(18-2)12(19-3)11(9)13(16)17/h4-6H,7H2,1-3H3
InChIKeyXDRAWJLYSDTNSM-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.63
Rot. Bonds3

About 6,7-dimethoxy-2-(5-methyl-1,3-thiazol-2-yl)-3H-isoindol-1-one

6,7-dimethoxy-2-(5-methyl-1,3-thiazol-2-yl)-3H-isoindol-1-one (PubChem CID 889932) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 6,7-dimethoxy-2-(5-methyl-1,3-thiazol-2-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-(5-methyl-1,3-thiazol-2-yl)-3H-isoindol-1-one
PubChem CID889932
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name6,7-dimethoxy-2-(5-methyl-1,3-thiazol-2-yl)-3H-isoindol-1-one
SMILESCOc1ccc2c(c1OC)C(=O)N(c1ncc(C)s1)C2
InChIInChI=1S/C14H14N2O3S/c1-8-6-15-14(20-8)16-7-9-4-5-10(18-2)12(19-3)11(9)13(16)17/h4-6H,7H2,1-3H3
InChIKeyXDRAWJLYSDTNSM-UHFFFAOYSA-N
XLogP2.63
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-(5-methyl-1,3-thiazol-2-yl)-3H-isoindol-1-one?
The IUPAC name of 6,7-dimethoxy-2-(5-methyl-1,3-thiazol-2-yl)-3H-isoindol-1-one (CID 889932) is 6,7-dimethoxy-2-(5-methyl-1,3-thiazol-2-yl)-3H-isoindol-1-one.
What is the SMILES notation for 6,7-dimethoxy-2-(5-methyl-1,3-thiazol-2-yl)-3H-isoindol-1-one?
The canonical SMILES for 6,7-dimethoxy-2-(5-methyl-1,3-thiazol-2-yl)-3H-isoindol-1-one is COc1ccc2c(c1OC)C(=O)N(c1ncc(C)s1)C2.
What is the InChIKey of 6,7-dimethoxy-2-(5-methyl-1,3-thiazol-2-yl)-3H-isoindol-1-one?
The InChIKey is XDRAWJLYSDTNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-8-6-15-14(20-8)16-7-9-4-5-10(18-2)12(19-3)11(9)13(16)17/h4-6H,7H2,1-3H3.
What are the key properties of 6,7-dimethoxy-2-(5-methyl-1,3-thiazol-2-yl)-3H-isoindol-1-one?
6,7-dimethoxy-2-(5-methyl-1,3-thiazol-2-yl)-3H-isoindol-1-one has a molecular weight of 290.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-(5-methyl-1,3-thiazol-2-yl)-3H-isoindol-1-one is sourced from PubChem (CID 889932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).