9-methoxy-2-(piperidin-1-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one

C17H19N3O2S — CID 58016065

IUPAC9-methoxy-2-(piperidin-1-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one
SMILESCOc1cccc2c(=O)[nH]c3sc(CN4CCCCC4)nc3c12
InChIInChI=1S/C17H19N3O2S/c1-22-12-7-5-6-11-14(12)15-17(19-16(11)21)23-13(18-15)10-20-8-3-2-4-9-20/h5-7H,2-4,8-10H2,1H3,(H,19,21)
InChIKeyQQYWCXQYKGTPDX-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.13
Rot. Bonds3

About 9-methoxy-2-(piperidin-1-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one

9-methoxy-2-(piperidin-1-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one (PubChem CID 58016065) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 9-methoxy-2-(piperidin-1-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one.

Molecular Properties

Compound Name9-methoxy-2-(piperidin-1-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one
PubChem CID58016065
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name9-methoxy-2-(piperidin-1-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one
SMILESCOc1cccc2c(=O)[nH]c3sc(CN4CCCCC4)nc3c12
InChIInChI=1S/C17H19N3O2S/c1-22-12-7-5-6-11-14(12)15-17(19-16(11)21)23-13(18-15)10-20-8-3-2-4-9-20/h5-7H,2-4,8-10H2,1H3,(H,19,21)
InChIKeyQQYWCXQYKGTPDX-UHFFFAOYSA-N
XLogP3.13
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one
CID 71287880
6,7-dimethoxy-2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135715079
2-(piperidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135420435
4-[[4-[2-(8-methoxy-4-oxo-3H-quinazolin-2-yl)ethyl]piperazin-1-yl]methyl]benzonitrile
CID 177042552
1-(4,8-dimethoxynaphthalen-1-yl)-2-pyrrolidin-1-ylethanone;hydrochloride
CID 70553690
2-methoxy-6-(piperidin-1-ylmethyl)pyridine
CID 70652671
5-(azepan-1-ylmethyl)-4-(3,4-dimethoxyphenyl)-3H-1,3-thiazol-2-one
CID 110830828
2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135612889
N-(8-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide
CID 136608254
9-methoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one
CID 70252151
8-methoxy-5-(piperidin-1-ylmethyl)quinoline
CID 135293876
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 154829094

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-2-(piperidin-1-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one?
The IUPAC name of 9-methoxy-2-(piperidin-1-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one (CID 58016065) is 9-methoxy-2-(piperidin-1-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one.
What is the SMILES notation for 9-methoxy-2-(piperidin-1-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one?
The canonical SMILES for 9-methoxy-2-(piperidin-1-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one is COc1cccc2c(=O)[nH]c3sc(CN4CCCCC4)nc3c12.
What is the InChIKey of 9-methoxy-2-(piperidin-1-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one?
The InChIKey is QQYWCXQYKGTPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-22-12-7-5-6-11-14(12)15-17(19-16(11)21)23-13(18-15)10-20-8-3-2-4-9-20/h5-7H,2-4,8-10H2,1H3,(H,19,21).
What are the key properties of 9-methoxy-2-(piperidin-1-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one?
9-methoxy-2-(piperidin-1-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one has a molecular weight of 329.43 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-2-(piperidin-1-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one is sourced from PubChem (CID 58016065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).