(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanone

C15H16N2O2S — CID 136522334

IUPAC(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCOc1cccc2c1CCN(C(=O)c1scnc1C)C2
InChIInChI=1S/C15H16N2O2S/c1-10-14(20-9-16-10)15(18)17-7-6-12-11(8-17)4-3-5-13(12)19-2/h3-5,9H,6-8H2,1-2H3
InChIKeyXQZRWVCMFQAEDJ-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.66
Rot. Bonds2

About (5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanone

(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 136522334) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is (5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID136522334
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCOc1cccc2c1CCN(C(=O)c1scnc1C)C2
InChIInChI=1S/C15H16N2O2S/c1-10-14(20-9-16-10)15(18)17-7-6-12-11(8-17)4-3-5-13(12)19-2/h3-5,9H,6-8H2,1-2H3
InChIKeyXQZRWVCMFQAEDJ-UHFFFAOYSA-N
XLogP2.66
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanone with MolForge

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Related Compounds

(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 56819367
[3-(2-methoxyphenoxy)azetidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 70785183
(6-methoxy-3-pyridinyl)-[5-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 156525322
(E)-1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylprop-2-en-1-one
CID 154860830
1-[7-(5-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one
CID 172889249
[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 167835801
5-methoxy-N-[2-(3-methyl-4-pyridinyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 75519799
1-(4-methoxy-1,3-dihydroisoindol-2-yl)ethanone
CID 20754713
1,3-benzothiazol-7-yl-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 156583808
5-methoxy-3,4-dihydro-1H-isoquinolin-2-amine
CID 89009600
[6-fluoro-2-(4-fluorophenyl)quinazolin-4-yl]-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 86268209
N-[(2R,6R)-2,6-dimethyloxan-4-yl]-5-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97349930

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of (5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanone (CID 136522334) is (5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for (5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanone is COc1cccc2c1CCN(C(=O)c1scnc1C)C2.
What is the InChIKey of (5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is XQZRWVCMFQAEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10-14(20-9-16-10)15(18)17-7-6-12-11(8-17)4-3-5-13(12)19-2/h3-5,9H,6-8H2,1-2H3.
What are the key properties of (5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanone?
(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 288.37 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 136522334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).