3-(1,3-thiazol-2-yl)-3,4-dihydroisoquinolin-1-amine

C12H11N3S — CID 18785857

IUPAC3-(1,3-thiazol-2-yl)-3,4-dihydroisoquinolin-1-amine
SMILESNC1=NC(c2nccs2)Cc2ccccc21
InChIInChI=1S/C12H11N3S/c13-11-9-4-2-1-3-8(9)7-10(15-11)12-14-5-6-16-12/h1-6,10H,7H2,(H2,13,15)
InChIKeyRDKMXFCWQURSLL-UHFFFAOYSA-N
MW229.31 g/mol
LogP2.15
Rot. Bonds1

About 3-(1,3-thiazol-2-yl)-3,4-dihydroisoquinolin-1-amine

3-(1,3-thiazol-2-yl)-3,4-dihydroisoquinolin-1-amine (PubChem CID 18785857) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)-3,4-dihydroisoquinolin-1-amine.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)-3,4-dihydroisoquinolin-1-amine
PubChem CID18785857
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name3-(1,3-thiazol-2-yl)-3,4-dihydroisoquinolin-1-amine
SMILESNC1=NC(c2nccs2)Cc2ccccc21
InChIInChI=1S/C12H11N3S/c13-11-9-4-2-1-3-8(9)7-10(15-11)12-14-5-6-16-12/h1-6,10H,7H2,(H2,13,15)
InChIKeyRDKMXFCWQURSLL-UHFFFAOYSA-N
XLogP2.15
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yl)-3,4-dihydroisoquinolin-1-amine?
The IUPAC name of 3-(1,3-thiazol-2-yl)-3,4-dihydroisoquinolin-1-amine (CID 18785857) is 3-(1,3-thiazol-2-yl)-3,4-dihydroisoquinolin-1-amine.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)-3,4-dihydroisoquinolin-1-amine?
The canonical SMILES for 3-(1,3-thiazol-2-yl)-3,4-dihydroisoquinolin-1-amine is NC1=NC(c2nccs2)Cc2ccccc21.
What is the InChIKey of 3-(1,3-thiazol-2-yl)-3,4-dihydroisoquinolin-1-amine?
The InChIKey is RDKMXFCWQURSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c13-11-9-4-2-1-3-8(9)7-10(15-11)12-14-5-6-16-12/h1-6,10H,7H2,(H2,13,15).
What are the key properties of 3-(1,3-thiazol-2-yl)-3,4-dihydroisoquinolin-1-amine?
3-(1,3-thiazol-2-yl)-3,4-dihydroisoquinolin-1-amine has a molecular weight of 229.31 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yl)-3,4-dihydroisoquinolin-1-amine is sourced from PubChem (CID 18785857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).