2-isoquinolin-1-yl-5-methyl-1,3-thiazol-4-amine

C13H11N3S — CID 83107327

IUPAC2-isoquinolin-1-yl-5-methyl-1,3-thiazol-4-amine
SMILESCc1sc(-c2nccc3ccccc23)nc1N
InChIInChI=1S/C13H11N3S/c1-8-12(14)16-13(17-8)11-10-5-3-2-4-9(10)6-7-15-11/h2-7H,14H2,1H3
InChIKeyBCHKOWMGBIWFFR-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.25
Rot. Bonds1

About 2-isoquinolin-1-yl-5-methyl-1,3-thiazol-4-amine

2-isoquinolin-1-yl-5-methyl-1,3-thiazol-4-amine (PubChem CID 83107327) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-isoquinolin-1-yl-5-methyl-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-isoquinolin-1-yl-5-methyl-1,3-thiazol-4-amine
PubChem CID83107327
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name2-isoquinolin-1-yl-5-methyl-1,3-thiazol-4-amine
SMILESCc1sc(-c2nccc3ccccc23)nc1N
InChIInChI=1S/C13H11N3S/c1-8-12(14)16-13(17-8)11-10-5-3-2-4-9(10)6-7-15-11/h2-7H,14H2,1H3
InChIKeyBCHKOWMGBIWFFR-UHFFFAOYSA-N
XLogP3.25
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-1-yl-5-methyl-1,3-thiazol-4-amine?
The IUPAC name of 2-isoquinolin-1-yl-5-methyl-1,3-thiazol-4-amine (CID 83107327) is 2-isoquinolin-1-yl-5-methyl-1,3-thiazol-4-amine.
What is the SMILES notation for 2-isoquinolin-1-yl-5-methyl-1,3-thiazol-4-amine?
The canonical SMILES for 2-isoquinolin-1-yl-5-methyl-1,3-thiazol-4-amine is Cc1sc(-c2nccc3ccccc23)nc1N.
What is the InChIKey of 2-isoquinolin-1-yl-5-methyl-1,3-thiazol-4-amine?
The InChIKey is BCHKOWMGBIWFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-8-12(14)16-13(17-8)11-10-5-3-2-4-9(10)6-7-15-11/h2-7H,14H2,1H3.
What are the key properties of 2-isoquinolin-1-yl-5-methyl-1,3-thiazol-4-amine?
2-isoquinolin-1-yl-5-methyl-1,3-thiazol-4-amine has a molecular weight of 241.32 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-1-yl-5-methyl-1,3-thiazol-4-amine is sourced from PubChem (CID 83107327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).