2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide

C18H13N3OS2 — CID 46868930

IUPAC2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide
SMILESO=C(Cc1cccc2cnccc12)Nc1ccsc1-c1cscn1
InChIInChI=1S/C18H13N3OS2/c22-17(8-12-2-1-3-13-9-19-6-4-14(12)13)21-15-5-7-24-18(15)16-10-23-11-20-16/h1-7,9-11H,8H2,(H,21,22)
InChIKeyFFPJBQIHDBPVHZ-UHFFFAOYSA-N
MW351.46 g/mol
LogP4.60
Rot. Bonds4

About 2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide

2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide (PubChem CID 46868930) has the molecular formula C18H13N3OS2 and a molecular weight of 351.46 g/mol. Its IUPAC name is 2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide.

Molecular Properties

Compound Name2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide
PubChem CID46868930
Molecular FormulaC18H13N3OS2
Molecular Weight351.46 g/mol
Exact Mass351.05
IUPAC Name2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide
SMILESO=C(Cc1cccc2cnccc12)Nc1ccsc1-c1cscn1
InChIInChI=1S/C18H13N3OS2/c22-17(8-12-2-1-3-13-9-19-6-4-14(12)13)21-15-5-7-24-18(15)16-10-23-11-20-16/h1-7,9-11H,8H2,(H,21,22)
InChIKeyFFPJBQIHDBPVHZ-UHFFFAOYSA-N
XLogP4.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide?
The IUPAC name of 2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide (CID 46868930) is 2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide.
What is the SMILES notation for 2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide?
The canonical SMILES for 2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide is O=C(Cc1cccc2cnccc12)Nc1ccsc1-c1cscn1.
What is the InChIKey of 2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide?
The InChIKey is FFPJBQIHDBPVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS2/c22-17(8-12-2-1-3-13-9-19-6-4-14(12)13)21-15-5-7-24-18(15)16-10-23-11-20-16/h1-7,9-11H,8H2,(H,21,22).
What are the key properties of 2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide?
2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide has a molecular weight of 351.46 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-5-yl-N-[2-(1,3-thiazol-4-yl)thiophen-3-yl]acetamide is sourced from PubChem (CID 46868930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).