2-isoquinolin-5-yl-N-(4-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyrazin-2-ylthiophen-3-yl)acetamide

C35H28N8O3S2 — CID 134329169

IUPAC2-isoquinolin-5-yl-N-(4-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyrazin-2-ylthiophen-3-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccsc2-c2cnccn2)cc1.O=C(Cc1cccc2cnccc12)Nc1scnc1-c1cnccn1
InChIInChI=1S/C18H13N5OS.C17H15N3O2S/c24-16(8-12-2-1-3-13-9-19-5-4-14(12)13)23-18-17(22-11-25-18)15-10-20-6-7-21-15;1-22-13-4-2-12(3-5-13)10-16(21)20-14-6-9-23-17(14)15-11-18-7-8-19-15/h1-7,9-11H,8H2,(H,23,24);2-9,11H,10H2,1H3,(H,20,21)
InChIKeyLRZQBGQSWGDJHY-UHFFFAOYSA-N
MW672.80 g/mol
LogP6.72
Rot. Bonds9

About 2-isoquinolin-5-yl-N-(4-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyrazin-2-ylthiophen-3-yl)acetamide

2-isoquinolin-5-yl-N-(4-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyrazin-2-ylthiophen-3-yl)acetamide (PubChem CID 134329169) has the molecular formula C35H28N8O3S2 and a molecular weight of 672.80 g/mol. Its IUPAC name is 2-isoquinolin-5-yl-N-(4-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyrazin-2-ylthiophen-3-yl)acetamide.

Molecular Properties

Compound Name2-isoquinolin-5-yl-N-(4-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyrazin-2-ylthiophen-3-yl)acetamide
PubChem CID134329169
Molecular FormulaC35H28N8O3S2
Molecular Weight672.80 g/mol
Exact Mass672.17
IUPAC Name2-isoquinolin-5-yl-N-(4-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyrazin-2-ylthiophen-3-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccsc2-c2cnccn2)cc1.O=C(Cc1cccc2cnccc12)Nc1scnc1-c1cnccn1
InChIInChI=1S/C18H13N5OS.C17H15N3O2S/c24-16(8-12-2-1-3-13-9-19-5-4-14(12)13)23-18-17(22-11-25-18)15-10-20-6-7-21-15;1-22-13-4-2-12(3-5-13)10-16(21)20-14-6-9-23-17(14)15-11-18-7-8-19-15/h1-7,9-11H,8H2,(H,23,24);2-9,11H,10H2,1H3,(H,20,21)
InChIKeyLRZQBGQSWGDJHY-UHFFFAOYSA-N
XLogP6.72
TPSA144.77 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500672.80
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-isoquinolin-5-yl-N-(4-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyrazin-2-ylthiophen-3-yl)acetamide with MolForge

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Related Compounds

methyl 3-[(2-isoquinolin-5-ylacetyl)amino]thiophene-2-carboxylate
CID 52949817
N-[2-[2-(hydroxymethyl)-1,3-thiazol-4-yl]thiophen-3-yl]-2-isoquinolin-5-ylacetamide
CID 89446906
N-(3-fluoro-4-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 75482660
2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 770967
2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide
CID 8763151
2-(4-methoxyphenyl)-N-[2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophen-3-yl]acetamide
CID 46869740
3-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-2-carboxamide
CID 68754317
N-[[2-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925861
N-[2-[(4-methoxyphenyl)methylcarbamoyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53335911
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-(4-methoxyphenyl)acetamide
CID 53163758
2,3-di(isoquinolin-5-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]-N'-[2-(1,3-thiazol-4-yl)thiophen-3-yl]butanediamide
CID 91046553
2-(4-methoxyphenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 92595562

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-5-yl-N-(4-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyrazin-2-ylthiophen-3-yl)acetamide?
The IUPAC name of 2-isoquinolin-5-yl-N-(4-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyrazin-2-ylthiophen-3-yl)acetamide (CID 134329169) is 2-isoquinolin-5-yl-N-(4-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyrazin-2-ylthiophen-3-yl)acetamide.
What is the SMILES notation for 2-isoquinolin-5-yl-N-(4-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyrazin-2-ylthiophen-3-yl)acetamide?
The canonical SMILES for 2-isoquinolin-5-yl-N-(4-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyrazin-2-ylthiophen-3-yl)acetamide is COc1ccc(CC(=O)Nc2ccsc2-c2cnccn2)cc1.O=C(Cc1cccc2cnccc12)Nc1scnc1-c1cnccn1.
What is the InChIKey of 2-isoquinolin-5-yl-N-(4-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyrazin-2-ylthiophen-3-yl)acetamide?
The InChIKey is LRZQBGQSWGDJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5OS.C17H15N3O2S/c24-16(8-12-2-1-3-13-9-19-5-4-14(12)13)23-18-17(22-11-25-18)15-10-20-6-7-21-15;1-22-13-4-2-12(3-5-13)10-16(21)20-14-6-9-23-17(14)15-11-18-7-8-19-15/h1-7,9-11H,8H2,(H,23,24);2-9,11H,10H2,1H3,(H,20,21).
What are the key properties of 2-isoquinolin-5-yl-N-(4-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyrazin-2-ylthiophen-3-yl)acetamide?
2-isoquinolin-5-yl-N-(4-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyrazin-2-ylthiophen-3-yl)acetamide has a molecular weight of 672.80 g/mol, XLogP of 6.72, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-5-yl-N-(4-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide;2-(4-methoxyphenyl)-N-(2-pyrazin-2-ylthiophen-3-yl)acetamide is sourced from PubChem (CID 134329169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).