4-(1-benzofuran-2-yl)-N-isoquinolin-3-yl-1,3-thiazol-2-amine

C20H13N3OS — CID 89422315

IUPAC4-(1-benzofuran-2-yl)-N-isoquinolin-3-yl-1,3-thiazol-2-amine
SMILESc1ccc2cc(Nc3nc(-c4cc5ccccc5o4)cs3)ncc2c1
InChIInChI=1S/C20H13N3OS/c1-2-7-15-11-21-19(10-13(15)5-1)23-20-22-16(12-25-20)18-9-14-6-3-4-8-17(14)24-18/h1-12H,(H,21,22,23)
InChIKeyFOZFJKQMSXFYAL-UHFFFAOYSA-N
MW343.41 g/mol
LogP5.85
Rot. Bonds3

About 4-(1-benzofuran-2-yl)-N-isoquinolin-3-yl-1,3-thiazol-2-amine

4-(1-benzofuran-2-yl)-N-isoquinolin-3-yl-1,3-thiazol-2-amine (PubChem CID 89422315) has the molecular formula C20H13N3OS and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-N-isoquinolin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-N-isoquinolin-3-yl-1,3-thiazol-2-amine
PubChem CID89422315
Molecular FormulaC20H13N3OS
Molecular Weight343.41 g/mol
Exact Mass343.08
IUPAC Name4-(1-benzofuran-2-yl)-N-isoquinolin-3-yl-1,3-thiazol-2-amine
SMILESc1ccc2cc(Nc3nc(-c4cc5ccccc5o4)cs3)ncc2c1
InChIInChI=1S/C20H13N3OS/c1-2-7-15-11-21-19(10-13(15)5-1)23-20-22-16(12-25-20)18-9-14-6-3-4-8-17(14)24-18/h1-12H,(H,21,22,23)
InChIKeyFOZFJKQMSXFYAL-UHFFFAOYSA-N
XLogP5.85
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.41
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1-benzofuran-2-yl)-N-isoquinolin-3-yl-1,3-thiazol-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-[4-(1-Benzofuran-2-yl)-1,3-thiazol-2-yl]morpholine
CID 2484138
2-(1-((1H-Imidazo[4,5-b]pyridin-2-yl)methyl)piperidin-4-yl)-4-(benzofuran-2-yl)thiazole
CID 162675169
2-(5-methyl-2-furyl)-N-1,3-thiazol-2-yl-4-quinolinecarboxamide
CID 1358325
4-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 2469776
4-(1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 2531071
1-[4-(1-Benzofuran-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44144370
2-(furan-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2082785
4-(1-benzofuran-2-yl)-N-ethyl-1,3-thiazol-2-amine
CID 2091972
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 2406187
4-(1-Benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole
CID 2470878
1-(4-(Benzofuran-2-yl)thiazol-2-yl)-3-(p-tolyl)urea
CID 30349444
4-(1-benzofuran-2-yl)-N-quinolin-2-yl-1,3-thiazol-2-amine
CID 137636566

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-N-isoquinolin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-benzofuran-2-yl)-N-isoquinolin-3-yl-1,3-thiazol-2-amine (CID 89422315) is 4-(1-benzofuran-2-yl)-N-isoquinolin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-N-isoquinolin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-N-isoquinolin-3-yl-1,3-thiazol-2-amine is c1ccc2cc(Nc3nc(-c4cc5ccccc5o4)cs3)ncc2c1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-N-isoquinolin-3-yl-1,3-thiazol-2-amine?
The InChIKey is FOZFJKQMSXFYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3OS/c1-2-7-15-11-21-19(10-13(15)5-1)23-20-22-16(12-25-20)18-9-14-6-3-4-8-17(14)24-18/h1-12H,(H,21,22,23).
What are the key properties of 4-(1-benzofuran-2-yl)-N-isoquinolin-3-yl-1,3-thiazol-2-amine?
4-(1-benzofuran-2-yl)-N-isoquinolin-3-yl-1,3-thiazol-2-amine has a molecular weight of 343.41 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-N-isoquinolin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 89422315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).