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

C22H19N3OS — CID 3245021

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone
SMILESCc1c(C(=O)N2CCc3ccccc3C2)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C22H19N3OS/c1-15-20(21(26)24-12-11-16-7-5-6-10-18(16)13-24)27-22-23-19(14-25(15)22)17-8-3-2-4-9-17/h2-10,14H,11-13H2,1H3
InChIKeyCTHJFTYSHYRZSI-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.57
Rot. Bonds2

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

3,4-dihydro-1H-isoquinolin-2-yl-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone (PubChem CID 3245021) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone
PubChem CID3245021
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone
SMILESCc1c(C(=O)N2CCc3ccccc3C2)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C22H19N3OS/c1-15-20(21(26)24-12-11-16-7-5-6-10-18(16)13-24)27-22-23-19(14-25(15)22)17-8-3-2-4-9-17/h2-10,14H,11-13H2,1H3
InChIKeyCTHJFTYSHYRZSI-UHFFFAOYSA-N
XLogP4.57
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)-morpholin-4-ylmethanone
CID 3245660
(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 121031660
(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)-(2-methylpiperidin-1-yl)methanone
CID 3610141
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2-phenyl-1,3-thiazol-4-yl)methanone
CID 110648378
N'-benzoyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbohydrazide
CID 19164108
3,4-dihydro-1H-isoquinolin-2-yl-(2,4,6-trimethylpyrimidin-5-yl)methanone
CID 110852429
3,4-dihydro-1H-isoquinolin-2-yl-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone
CID 30134172
[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 29312797
1-[3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanone
CID 19224511
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 27659602
1-[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylurea
CID 16897012
N-(1,3-benzodioxol-5-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3236662

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone (CID 3245021) is 3,4-dihydro-1H-isoquinolin-2-yl-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone is Cc1c(C(=O)N2CCc3ccccc3C2)sc2nc(-c3ccccc3)cn12.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone?
The InChIKey is CTHJFTYSHYRZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-15-20(21(26)24-12-11-16-7-5-6-10-18(16)13-24)27-22-23-19(14-25(15)22)17-8-3-2-4-9-17/h2-10,14H,11-13H2,1H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone has a molecular weight of 373.48 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone is sourced from PubChem (CID 3245021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).