N-isoquinolin-3-yl-4-pyridin-4-yl-1,3-thiazol-2-amine

C17H12N4S — CID 51002833

IUPACN-isoquinolin-3-yl-4-pyridin-4-yl-1,3-thiazol-2-amine
SMILESc1ccc2cc(Nc3nc(-c4ccncc4)cs3)ncc2c1
InChIInChI=1S/C17H12N4S/c1-2-4-14-10-19-16(9-13(14)3-1)21-17-20-15(11-22-17)12-5-7-18-8-6-12/h1-11H,(H,19,20,21)
InChIKeyTUBCFGDIYLOKRB-UHFFFAOYSA-N
MW304.38 g/mol
LogP4.50
Rot. Bonds3

About N-isoquinolin-3-yl-4-pyridin-4-yl-1,3-thiazol-2-amine

N-isoquinolin-3-yl-4-pyridin-4-yl-1,3-thiazol-2-amine (PubChem CID 51002833) has the molecular formula C17H12N4S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-isoquinolin-3-yl-4-pyridin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-isoquinolin-3-yl-4-pyridin-4-yl-1,3-thiazol-2-amine
PubChem CID51002833
Molecular FormulaC17H12N4S
Molecular Weight304.38 g/mol
Exact Mass304.08
IUPAC NameN-isoquinolin-3-yl-4-pyridin-4-yl-1,3-thiazol-2-amine
SMILESc1ccc2cc(Nc3nc(-c4ccncc4)cs3)ncc2c1
InChIInChI=1S/C17H12N4S/c1-2-4-14-10-19-16(9-13(14)3-1)21-17-20-15(11-22-17)12-5-7-18-8-6-12/h1-11H,(H,19,20,21)
InChIKeyTUBCFGDIYLOKRB-UHFFFAOYSA-N
XLogP4.50
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-3-yl-4-pyridin-4-yl-1,3-thiazol-2-amine?
The IUPAC name of N-isoquinolin-3-yl-4-pyridin-4-yl-1,3-thiazol-2-amine (CID 51002833) is N-isoquinolin-3-yl-4-pyridin-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-isoquinolin-3-yl-4-pyridin-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-isoquinolin-3-yl-4-pyridin-4-yl-1,3-thiazol-2-amine is c1ccc2cc(Nc3nc(-c4ccncc4)cs3)ncc2c1.
What is the InChIKey of N-isoquinolin-3-yl-4-pyridin-4-yl-1,3-thiazol-2-amine?
The InChIKey is TUBCFGDIYLOKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4S/c1-2-4-14-10-19-16(9-13(14)3-1)21-17-20-15(11-22-17)12-5-7-18-8-6-12/h1-11H,(H,19,20,21).
What are the key properties of N-isoquinolin-3-yl-4-pyridin-4-yl-1,3-thiazol-2-amine?
N-isoquinolin-3-yl-4-pyridin-4-yl-1,3-thiazol-2-amine has a molecular weight of 304.38 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-3-yl-4-pyridin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 51002833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).