2-cyclopentyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-2-yl]acetamide;hydrochloride

C20H26ClN3OS — CID 71780092

IUPAC2-cyclopentyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
SMILESCl.O=C(CC1CCCC1)Nc1nc(CN2CCc3ccccc3C2)cs1
InChIInChI=1S/C20H25N3OS.ClH/c24-19(11-15-5-1-2-6-15)22-20-21-18(14-25-20)13-23-10-9-16-7-3-4-8-17(16)12-23;/h3-4,7-8,14-15H,1-2,5-6,9-13H2,(H,21,22,24);1H
InChIKeyGFOSIFIZGJCAFX-UHFFFAOYSA-N
MW391.97 g/mol
LogP4.64
Rot. Bonds5

About 2-cyclopentyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-2-yl]acetamide;hydrochloride

2-cyclopentyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-2-yl]acetamide;hydrochloride (PubChem CID 71780092) has the molecular formula C20H26ClN3OS and a molecular weight of 391.97 g/mol. Its IUPAC name is 2-cyclopentyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-cyclopentyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
PubChem CID71780092
Molecular FormulaC20H26ClN3OS
Molecular Weight391.97 g/mol
Exact Mass391.15
IUPAC Name2-cyclopentyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
SMILESCl.O=C(CC1CCCC1)Nc1nc(CN2CCc3ccccc3C2)cs1
InChIInChI=1S/C20H25N3OS.ClH/c24-19(11-15-5-1-2-6-15)22-20-21-18(14-25-20)13-23-10-9-16-7-3-4-8-17(16)12-23;/h3-4,7-8,14-15H,1-2,5-6,9-13H2,(H,21,22,24);1H
InChIKeyGFOSIFIZGJCAFX-UHFFFAOYSA-N
XLogP4.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.97
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopentyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-2-yl]acetamide;hydrochloride with MolForge

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Related Compounds

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-cyclobutylacetamide
CID 103164434
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 119830478
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22200140
2-cyclopent-2-en-1-yl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 46699176
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide
CID 119830492
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 18886850
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 119830544
2-cyclopentyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 17404263
2-iodo-N-[4-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]benzamide;hydrochloride
CID 121067415
N-(4-acetyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide
CID 115681438
N-(4-acetyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide
CID 60717010
(3R)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide
CID 30185192

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-2-yl]acetamide;hydrochloride?
The IUPAC name of 2-cyclopentyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-2-yl]acetamide;hydrochloride (CID 71780092) is 2-cyclopentyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-2-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-cyclopentyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-2-yl]acetamide;hydrochloride?
The canonical SMILES for 2-cyclopentyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-2-yl]acetamide;hydrochloride is Cl.O=C(CC1CCCC1)Nc1nc(CN2CCc3ccccc3C2)cs1.
What is the InChIKey of 2-cyclopentyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-2-yl]acetamide;hydrochloride?
The InChIKey is GFOSIFIZGJCAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS.ClH/c24-19(11-15-5-1-2-6-15)22-20-21-18(14-25-20)13-23-10-9-16-7-3-4-8-17(16)12-23;/h3-4,7-8,14-15H,1-2,5-6,9-13H2,(H,21,22,24);1H.
What are the key properties of 2-cyclopentyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-2-yl]acetamide;hydrochloride?
2-cyclopentyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-2-yl]acetamide;hydrochloride has a molecular weight of 391.97 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 71780092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).