6-(1,3-thiazol-5-yl)isoquinolin-5-amine

C12H9N3S — CID 168925511

IUPAC6-(1,3-thiazol-5-yl)isoquinolin-5-amine
SMILESNc1c(-c2cncs2)ccc2cnccc12
InChIInChI=1S/C12H9N3S/c13-12-9-3-4-14-5-8(9)1-2-10(12)11-6-15-7-16-11/h1-7H,13H2
InChIKeyIYKUVRSHFHHUNN-UHFFFAOYSA-N
MW227.29 g/mol
LogP2.94
Rot. Bonds1

About 6-(1,3-thiazol-5-yl)isoquinolin-5-amine

6-(1,3-thiazol-5-yl)isoquinolin-5-amine (PubChem CID 168925511) has the molecular formula C12H9N3S and a molecular weight of 227.29 g/mol. Its IUPAC name is 6-(1,3-thiazol-5-yl)isoquinolin-5-amine.

Molecular Properties

Compound Name6-(1,3-thiazol-5-yl)isoquinolin-5-amine
PubChem CID168925511
Molecular FormulaC12H9N3S
Molecular Weight227.29 g/mol
Exact Mass227.05
IUPAC Name6-(1,3-thiazol-5-yl)isoquinolin-5-amine
SMILESNc1c(-c2cncs2)ccc2cnccc12
InChIInChI=1S/C12H9N3S/c13-12-9-3-4-14-5-8(9)1-2-10(12)11-6-15-7-16-11/h1-7H,13H2
InChIKeyIYKUVRSHFHHUNN-UHFFFAOYSA-N
XLogP2.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-(1,3-thiazol-5-yl)isoquinolin-5-ol
CID 168925780
3-(1,3-thiazol-5-yl)pyridin-4-amine
CID 130114568
6-pyridin-3-ylisoquinolin-5-amine
CID 82583202
5-isoquinolin-6-yl-1,3-thiazole
CID 168925552
3,8-phenanthroline
CID 13064691
5-(4-phenyl-3-pyridinyl)-1,3-thiazole
CID 173298269
6-propylsulfanylisoquinolin-5-amine
CID 106948782
benzo[f]isoquinolin-8-amine
CID 101109295
6-N-(1,3-thiazol-2-ylmethyl)isoquinoline-5,6-diamine
CID 106947735
3-(5-aminoisoquinolin-6-yl)sulfanylpropan-1-ol
CID 106948839
6-ethylsulfonylisoquinolin-5-amine
CID 106948752
5-isoquinolin-5-ylthiophen-2-amine
CID 164918805

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-thiazol-5-yl)isoquinolin-5-amine?
The IUPAC name of 6-(1,3-thiazol-5-yl)isoquinolin-5-amine (CID 168925511) is 6-(1,3-thiazol-5-yl)isoquinolin-5-amine.
What is the SMILES notation for 6-(1,3-thiazol-5-yl)isoquinolin-5-amine?
The canonical SMILES for 6-(1,3-thiazol-5-yl)isoquinolin-5-amine is Nc1c(-c2cncs2)ccc2cnccc12.
What is the InChIKey of 6-(1,3-thiazol-5-yl)isoquinolin-5-amine?
The InChIKey is IYKUVRSHFHHUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3S/c13-12-9-3-4-14-5-8(9)1-2-10(12)11-6-15-7-16-11/h1-7H,13H2.
What are the key properties of 6-(1,3-thiazol-5-yl)isoquinolin-5-amine?
6-(1,3-thiazol-5-yl)isoquinolin-5-amine has a molecular weight of 227.29 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-thiazol-5-yl)isoquinolin-5-amine is sourced from PubChem (CID 168925511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).