3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone

C23H21N3O2S — CID 5310419

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone
SMILESCOc1ccc(-c2cn3c(C)c(C(=O)N4CCc5ccccc5C4)sc3n2)cc1
InChIInChI=1S/C23H21N3O2S/c1-15-21(22(27)25-12-11-16-5-3-4-6-18(16)13-25)29-23-24-20(14-26(15)23)17-7-9-19(28-2)10-8-17/h3-10,14H,11-13H2,1-2H3
InChIKeyRDLYKUKZVMAHAX-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.58
Rot. Bonds3

About 3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone (PubChem CID 5310419) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone
PubChem CID5310419
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone
SMILESCOc1ccc(-c2cn3c(C)c(C(=O)N4CCc5ccccc5C4)sc3n2)cc1
InChIInChI=1S/C23H21N3O2S/c1-15-21(22(27)25-12-11-16-5-3-4-6-18(16)13-25)29-23-24-20(14-26(15)23)17-7-9-19(28-2)10-8-17/h3-10,14H,11-13H2,1-2H3
InChIKeyRDLYKUKZVMAHAX-UHFFFAOYSA-N
XLogP4.58
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone (CID 5310419) is 3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone is COc1ccc(-c2cn3c(C)c(C(=O)N4CCc5ccccc5C4)sc3n2)cc1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone?
The InChIKey is RDLYKUKZVMAHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-15-21(22(27)25-12-11-16-5-3-4-6-18(16)13-25)29-23-24-20(14-26(15)23)17-7-9-19(28-2)10-8-17/h3-10,14H,11-13H2,1-2H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone has a molecular weight of 403.51 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methanone is sourced from PubChem (CID 5310419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).