N-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide

C20H22N4OS — CID 166955080

IUPACN-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide
SMILESCc1ncc(-c2ccc3cnc(NC(=O)CN4CCCCC4)cc3c2)s1
InChIInChI=1S/C20H22N4OS/c1-14-21-12-18(26-14)15-5-6-16-11-22-19(10-17(16)9-15)23-20(25)13-24-7-3-2-4-8-24/h5-6,9-12H,2-4,7-8,13H2,1H3,(H,22,23,25)
InChIKeyPIAMQJIKIVAVJZ-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.09
Rot. Bonds4

About N-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide

N-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide (PubChem CID 166955080) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide
PubChem CID166955080
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide
SMILESCc1ncc(-c2ccc3cnc(NC(=O)CN4CCCCC4)cc3c2)s1
InChIInChI=1S/C20H22N4OS/c1-14-21-12-18(26-14)15-5-6-16-11-22-19(10-17(16)9-15)23-20(25)13-24-7-3-2-4-8-24/h5-6,9-12H,2-4,7-8,13H2,1H3,(H,22,23,25)
InChIKeyPIAMQJIKIVAVJZ-UHFFFAOYSA-N
XLogP4.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-1-(1-methylpiperidin-4-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]urea
CID 138579897
N-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
CID 138590579
N-[6-[(Z,1Z)-1-(methylidenehydrazinylidene)but-2-en-2-yl]isoquinolin-3-yl]-2-pyrrolidin-1-ylacetamide
CID 138606091
N-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]-2-piperidin-1-ylacetamide
CID 138590602
N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide
CID 138590861
6-(4-methyl-1,2,4-triazol-3-yl)-N-(3-piperidin-1-ylprop-1-en-2-yl)isoquinolin-3-amine
CID 142562934
2-morpholin-4-yl-N-(6-pyridazin-4-ylisoquinolin-3-yl)acetamide
CID 138586327
N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylpyridine-4-carboxamide
CID 158242384
2-(4-cyclopropylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide
CID 155241408
2-[4-(1-fluoroethyl)piperidin-1-yl]-N-[6-(2-methyl-1-thia-3-azacyclohexa-2,4,5-trien-6-yl)isoquinolin-3-yl]acetamide
CID 176542735
4-methyl-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]benzamide
CID 157330399
2-morpholin-4-yl-N-(6-pyridazin-3-ylisoquinolin-3-yl)acetamide
CID 138586345

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide (CID 166955080) is N-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide is Cc1ncc(-c2ccc3cnc(NC(=O)CN4CCCCC4)cc3c2)s1.
What is the InChIKey of N-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide?
The InChIKey is PIAMQJIKIVAVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-14-21-12-18(26-14)15-5-6-16-11-22-19(10-17(16)9-15)23-20(25)13-24-7-3-2-4-8-24/h5-6,9-12H,2-4,7-8,13H2,1H3,(H,22,23,25).
What are the key properties of N-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide?
N-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide has a molecular weight of 366.49 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 166955080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).