N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide

C24H27N3OS — CID 118289457

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NCC(c1scnc1C)N1CCc2ccccc2C1
InChIInChI=1S/C24H27N3OS/c1-16-7-6-8-17(2)22(16)24(28)25-13-21(23-18(3)26-15-29-23)27-12-11-19-9-4-5-10-20(19)14-27/h4-10,15,21H,11-14H2,1-3H3,(H,25,28)
InChIKeyRYSOOGGKVXPQRR-UHFFFAOYSA-N
MW405.57 g/mol
LogP4.60
Rot. Bonds5

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide (PubChem CID 118289457) has the molecular formula C24H27N3OS and a molecular weight of 405.57 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide
PubChem CID118289457
Molecular FormulaC24H27N3OS
Molecular Weight405.57 g/mol
Exact Mass405.19
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NCC(c1scnc1C)N1CCc2ccccc2C1
InChIInChI=1S/C24H27N3OS/c1-16-7-6-8-17(2)22(16)24(28)25-13-21(23-18(3)26-15-29-23)27-12-11-19-9-4-5-10-20(19)14-27/h4-10,15,21H,11-14H2,1-3H3,(H,25,28)
InChIKeyRYSOOGGKVXPQRR-UHFFFAOYSA-N
XLogP4.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.57
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide with MolForge

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Related Compounds

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US11608337, Example 38
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US11608337, Example 39
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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide (CID 118289457) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide is Cc1cccc(C)c1C(=O)NCC(c1scnc1C)N1CCc2ccccc2C1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide?
The InChIKey is RYSOOGGKVXPQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3OS/c1-16-7-6-8-17(2)22(16)24(28)25-13-21(23-18(3)26-15-29-23)27-12-11-19-9-4-5-10-20(19)14-27/h4-10,15,21H,11-14H2,1-3H3,(H,25,28).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide has a molecular weight of 405.57 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide is sourced from PubChem (CID 118289457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).