2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3-thiazol-2-yl)propanamide

C17H20N4O2S — CID 136577902

IUPAC2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(=O)Nc1cccc2c1CCN(C(C)C(=O)Nc1nccs1)C2
InChIInChI=1S/C17H20N4O2S/c1-11(16(23)20-17-18-7-9-24-17)21-8-6-14-13(10-21)4-3-5-15(14)19-12(2)22/h3-5,7,9,11H,6,8,10H2,1-2H3,(H,19,22)(H,18,20,23)
InChIKeyWPIMDUQKKZWQNQ-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.49
Rot. Bonds4

About 2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3-thiazol-2-yl)propanamide

2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 136577902) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID136577902
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(=O)Nc1cccc2c1CCN(C(C)C(=O)Nc1nccs1)C2
InChIInChI=1S/C17H20N4O2S/c1-11(16(23)20-17-18-7-9-24-17)21-8-6-14-13(10-21)4-3-5-15(14)19-12(2)22/h3-5,7,9,11H,6,8,10H2,1-2H3,(H,19,22)(H,18,20,23)
InChIKeyWPIMDUQKKZWQNQ-UHFFFAOYSA-N
XLogP2.49
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3-thiazol-2-yl)propanamide with MolForge

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Related Compounds

(2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 40932668
N-(2-thieno[2,3-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
CID 47059562
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 47144998
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
CID 10082667
N-(2-fluorophenyl)-2-[5-(phenylcarbamoylamino)-3,4-dihydro-1H-isoquinolin-2-yl]propanamide
CID 86904541
2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 86773181
(2S)-2-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95144394
(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylsulfanylphenyl)propanamide
CID 41361300
(2S)-2-[3-(3-methoxyphenoxy)azetidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95127937
2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoro-N-(1,3-thiazol-2-yl)propanamide
CID 175203007
N-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
CID 47293347
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 41312846

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 136577902) is 2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3-thiazol-2-yl)propanamide is CC(=O)Nc1cccc2c1CCN(C(C)C(=O)Nc1nccs1)C2.
What is the InChIKey of 2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is WPIMDUQKKZWQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11(16(23)20-17-18-7-9-24-17)21-8-6-14-13(10-21)4-3-5-15(14)19-12(2)22/h3-5,7,9,11H,6,8,10H2,1-2H3,(H,19,22)(H,18,20,23).
What are the key properties of 2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 344.44 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 136577902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).