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

C20H18N2OS — CID 110648378

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2-phenyl-1,3-thiazol-4-yl)methanone
SMILESCc1sc(-c2ccccc2)nc1C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C20H18N2OS/c1-14-18(21-19(24-14)16-8-3-2-4-9-16)20(23)22-12-11-15-7-5-6-10-17(15)13-22/h2-10H,11-13H2,1H3
InChIKeyZJZBGXDOVMKXPH-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.32
Rot. Bonds2

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

3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2-phenyl-1,3-thiazol-4-yl)methanone (PubChem CID 110648378) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2-phenyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2-phenyl-1,3-thiazol-4-yl)methanone
PubChem CID110648378
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2-phenyl-1,3-thiazol-4-yl)methanone
SMILESCc1sc(-c2ccccc2)nc1C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C20H18N2OS/c1-14-18(21-19(24-14)16-8-3-2-4-9-16)20(23)22-12-11-15-7-5-6-10-17(15)13-22/h2-10H,11-13H2,1H3
InChIKeyZJZBGXDOVMKXPH-UHFFFAOYSA-N
XLogP4.32
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 27659602
3,4-dihydro-1H-isoquinolin-2-yl-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone
CID 30134172
3,4-dihydro-1H-isoquinolin-2-yl-[2-(2,4-dimethylanilino)-5-methyl-1,3-thiazol-4-yl]methanone
CID 88563713
2-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 120535096
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 86938825
[2-(2,4-difluoroanilino)-5-methyl-1,3-thiazol-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 88563712
3,4-dihydro-1H-isoquinolin-2-yl-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone
CID 3245021
3,4-dihydro-1H-isoquinolin-2-yl-(2,4,6-trimethylpyrimidin-5-yl)methanone
CID 110852429
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2H-triazol-4-yl)methanone
CID 110691665
3,4-dihydro-1H-isoquinolin-2-yl-(4,5-dimethyl-1,2-oxazol-3-yl)methanone
CID 110852365
5-methyl-2-phenyl-N-propyl-1,3-thiazole-4-carboxamide
CID 110647228
1-[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylurea
CID 16897012

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2-phenyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2-phenyl-1,3-thiazol-4-yl)methanone (CID 110648378) is 3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2-phenyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2-phenyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2-phenyl-1,3-thiazol-4-yl)methanone is Cc1sc(-c2ccccc2)nc1C(=O)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2-phenyl-1,3-thiazol-4-yl)methanone?
The InChIKey is ZJZBGXDOVMKXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-14-18(21-19(24-14)16-8-3-2-4-9-16)20(23)22-12-11-15-7-5-6-10-17(15)13-22/h2-10H,11-13H2,1H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2-phenyl-1,3-thiazol-4-yl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2-phenyl-1,3-thiazol-4-yl)methanone has a molecular weight of 334.44 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2-phenyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 110648378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).