N-isoquinolin-3-yl-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine

C21H14N4OS — CID 51002878

IUPACN-isoquinolin-3-yl-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine
SMILESc1ccc(-c2cc(-c3csc(Nc4cc5ccccc5cn4)n3)on2)cc1
InChIInChI=1S/C21H14N4OS/c1-2-6-14(7-3-1)17-11-19(26-25-17)18-13-27-21(23-18)24-20-10-15-8-4-5-9-16(15)12-22-20/h1-13H,(H,22,23,24)
InChIKeyLJOQYVKVMLEDSA-UHFFFAOYSA-N
MW370.44 g/mol
LogP5.76
Rot. Bonds4

About N-isoquinolin-3-yl-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine

N-isoquinolin-3-yl-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 51002878) has the molecular formula C21H14N4OS and a molecular weight of 370.44 g/mol. Its IUPAC name is N-isoquinolin-3-yl-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-isoquinolin-3-yl-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine
PubChem CID51002878
Molecular FormulaC21H14N4OS
Molecular Weight370.44 g/mol
Exact Mass370.09
IUPAC NameN-isoquinolin-3-yl-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine
SMILESc1ccc(-c2cc(-c3csc(Nc4cc5ccccc5cn4)n3)on2)cc1
InChIInChI=1S/C21H14N4OS/c1-2-6-14(7-3-1)17-11-19(26-25-17)18-13-27-21(23-18)24-20-10-15-8-4-5-9-16(15)12-22-20/h1-13H,(H,22,23,24)
InChIKeyLJOQYVKVMLEDSA-UHFFFAOYSA-N
XLogP5.76
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.44
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-3-yl-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-isoquinolin-3-yl-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine (CID 51002878) is N-isoquinolin-3-yl-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-isoquinolin-3-yl-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-isoquinolin-3-yl-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine is c1ccc(-c2cc(-c3csc(Nc4cc5ccccc5cn4)n3)on2)cc1.
What is the InChIKey of N-isoquinolin-3-yl-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is LJOQYVKVMLEDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4OS/c1-2-6-14(7-3-1)17-11-19(26-25-17)18-13-27-21(23-18)24-20-10-15-8-4-5-9-16(15)12-22-20/h1-13H,(H,22,23,24).
What are the key properties of N-isoquinolin-3-yl-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine?
N-isoquinolin-3-yl-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 370.44 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-3-yl-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 51002878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).