N-(2-thieno[2,3-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide

C17H16N4OS — CID 47059562

IUPACN-(2-thieno[2,3-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
SMILESCC(=O)Nc1cccc2c1CCN(c1ncnc3sccc13)C2
InChIInChI=1S/C17H16N4OS/c1-11(22)20-15-4-2-3-12-9-21(7-5-13(12)15)16-14-6-8-23-17(14)19-10-18-16/h2-4,6,8,10H,5,7,9H2,1H3,(H,20,22)
InChIKeyPPTNHMBNAJOMRU-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.21
Rot. Bonds2

About N-(2-thieno[2,3-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide

N-(2-thieno[2,3-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide (PubChem CID 47059562) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is N-(2-thieno[2,3-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-thieno[2,3-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
PubChem CID47059562
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC NameN-(2-thieno[2,3-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
SMILESCC(=O)Nc1cccc2c1CCN(c1ncnc3sccc13)C2
InChIInChI=1S/C17H16N4OS/c1-11(22)20-15-4-2-3-12-9-21(7-5-13(12)15)16-14-6-8-23-17(14)19-10-18-16/h2-4,6,8,10H,5,7,9H2,1H3,(H,20,22)
InChIKeyPPTNHMBNAJOMRU-UHFFFAOYSA-N
XLogP3.21
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
CID 47293347
4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)thieno[2,3-d]pyrimidine
CID 157019262
2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 136577902
1-phenyl-3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]urea
CID 133295984
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
CID 10082667
bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 174973437
methyl 2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-4-chloro-1,3-thiazole-5-carboxylate
CID 51124758
N-[2-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
CID 133279129
4-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)thieno[2,3-d]pyrimidine
CID 167862191
N-(2-tert-butylphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 78848760
N-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
CID 133298183
N-[2-(6-methylpyridine-3-carbonyl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
CID 146085199

Frequently Asked Questions

What is the IUPAC name of N-(2-thieno[2,3-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide?
The IUPAC name of N-(2-thieno[2,3-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide (CID 47059562) is N-(2-thieno[2,3-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide.
What is the SMILES notation for N-(2-thieno[2,3-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide?
The canonical SMILES for N-(2-thieno[2,3-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide is CC(=O)Nc1cccc2c1CCN(c1ncnc3sccc13)C2.
What is the InChIKey of N-(2-thieno[2,3-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide?
The InChIKey is PPTNHMBNAJOMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-11(22)20-15-4-2-3-12-9-21(7-5-13(12)15)16-14-6-8-23-17(14)19-10-18-16/h2-4,6,8,10H,5,7,9H2,1H3,(H,20,22).
What are the key properties of N-(2-thieno[2,3-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide?
N-(2-thieno[2,3-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide has a molecular weight of 324.41 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thieno[2,3-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide is sourced from PubChem (CID 47059562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).