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

C18H13N5OS — CID 52948593

IUPAC2-isoquinolin-5-yl-N-(4-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide
SMILESO=C(Cc1cccc2cnccc12)Nc1scnc1-c1cnccn1
InChIInChI=1S/C18H13N5OS/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/h1-7,9-11H,8H2,(H,23,24)
InChIKeyALHGQWSWTWVNNB-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.33
Rot. Bonds4

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

2-isoquinolin-5-yl-N-(4-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 52948593) has the molecular formula C18H13N5OS and a molecular weight of 347.40 g/mol. Its IUPAC name is 2-isoquinolin-5-yl-N-(4-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-isoquinolin-5-yl-N-(4-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide
PubChem CID52948593
Molecular FormulaC18H13N5OS
Molecular Weight347.40 g/mol
Exact Mass347.08
IUPAC Name2-isoquinolin-5-yl-N-(4-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide
SMILESO=C(Cc1cccc2cnccc12)Nc1scnc1-c1cnccn1
InChIInChI=1S/C18H13N5OS/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/h1-7,9-11H,8H2,(H,23,24)
InChIKeyALHGQWSWTWVNNB-UHFFFAOYSA-N
XLogP3.33
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-5-yl-N-(4-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of 2-isoquinolin-5-yl-N-(4-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide (CID 52948593) is 2-isoquinolin-5-yl-N-(4-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for 2-isoquinolin-5-yl-N-(4-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for 2-isoquinolin-5-yl-N-(4-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide is 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?
The InChIKey is ALHGQWSWTWVNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5OS/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/h1-7,9-11H,8H2,(H,23,24).
What are the key properties of 2-isoquinolin-5-yl-N-(4-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide?
2-isoquinolin-5-yl-N-(4-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 347.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 52948593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).