3-isoquinolin-5-yloxy-N-methyl-3-(1,3-thiazol-2-yl)propan-1-amine

C16H17N3OS — CID 135145337

IUPAC3-isoquinolin-5-yloxy-N-methyl-3-(1,3-thiazol-2-yl)propan-1-amine
SMILESCNCCC(Oc1cccc2cnccc12)c1nccs1
InChIInChI=1S/C16H17N3OS/c1-17-7-6-15(16-19-9-10-21-16)20-14-4-2-3-12-11-18-8-5-13(12)14/h2-5,8-11,15,17H,6-7H2,1H3
InChIKeyQSGXHTUTBOFBJQ-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.42
Rot. Bonds6

About 3-isoquinolin-5-yloxy-N-methyl-3-(1,3-thiazol-2-yl)propan-1-amine

3-isoquinolin-5-yloxy-N-methyl-3-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 135145337) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-isoquinolin-5-yloxy-N-methyl-3-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-isoquinolin-5-yloxy-N-methyl-3-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID135145337
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name3-isoquinolin-5-yloxy-N-methyl-3-(1,3-thiazol-2-yl)propan-1-amine
SMILESCNCCC(Oc1cccc2cnccc12)c1nccs1
InChIInChI=1S/C16H17N3OS/c1-17-7-6-15(16-19-9-10-21-16)20-14-4-2-3-12-11-18-8-5-13(12)14/h2-5,8-11,15,17H,6-7H2,1H3
InChIKeyQSGXHTUTBOFBJQ-UHFFFAOYSA-N
XLogP3.42
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-5-yloxy-N-methyl-3-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of 3-isoquinolin-5-yloxy-N-methyl-3-(1,3-thiazol-2-yl)propan-1-amine (CID 135145337) is 3-isoquinolin-5-yloxy-N-methyl-3-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-isoquinolin-5-yloxy-N-methyl-3-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for 3-isoquinolin-5-yloxy-N-methyl-3-(1,3-thiazol-2-yl)propan-1-amine is CNCCC(Oc1cccc2cnccc12)c1nccs1.
What is the InChIKey of 3-isoquinolin-5-yloxy-N-methyl-3-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is QSGXHTUTBOFBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-17-7-6-15(16-19-9-10-21-16)20-14-4-2-3-12-11-18-8-5-13(12)14/h2-5,8-11,15,17H,6-7H2,1H3.
What are the key properties of 3-isoquinolin-5-yloxy-N-methyl-3-(1,3-thiazol-2-yl)propan-1-amine?
3-isoquinolin-5-yloxy-N-methyl-3-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 299.40 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-5-yloxy-N-methyl-3-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 135145337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).