4-(1,3-thiazol-5-yl)quinolin-3-amine

C12H9N3S — CID 155355352

IUPAC4-(1,3-thiazol-5-yl)quinolin-3-amine
SMILESNc1cnc2ccccc2c1-c1cncs1
InChIInChI=1S/C12H9N3S/c13-9-5-15-10-4-2-1-3-8(10)12(9)11-6-14-7-16-11/h1-7H,13H2
InChIKeyWLIMUTNXLWFBLC-UHFFFAOYSA-N
MW227.29 g/mol
LogP2.94
Rot. Bonds1

About 4-(1,3-thiazol-5-yl)quinolin-3-amine

4-(1,3-thiazol-5-yl)quinolin-3-amine (PubChem CID 155355352) has the molecular formula C12H9N3S and a molecular weight of 227.29 g/mol. Its IUPAC name is 4-(1,3-thiazol-5-yl)quinolin-3-amine.

Molecular Properties

Compound Name4-(1,3-thiazol-5-yl)quinolin-3-amine
PubChem CID155355352
Molecular FormulaC12H9N3S
Molecular Weight227.29 g/mol
Exact Mass227.05
IUPAC Name4-(1,3-thiazol-5-yl)quinolin-3-amine
SMILESNc1cnc2ccccc2c1-c1cncs1
InChIInChI=1S/C12H9N3S/c13-9-5-15-10-4-2-1-3-8(10)12(9)11-6-14-7-16-11/h1-7H,13H2
InChIKeyWLIMUTNXLWFBLC-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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-5-yl)quinolin-3-amine?
The IUPAC name of 4-(1,3-thiazol-5-yl)quinolin-3-amine (CID 155355352) is 4-(1,3-thiazol-5-yl)quinolin-3-amine.
What is the SMILES notation for 4-(1,3-thiazol-5-yl)quinolin-3-amine?
The canonical SMILES for 4-(1,3-thiazol-5-yl)quinolin-3-amine is Nc1cnc2ccccc2c1-c1cncs1.
What is the InChIKey of 4-(1,3-thiazol-5-yl)quinolin-3-amine?
The InChIKey is WLIMUTNXLWFBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3S/c13-9-5-15-10-4-2-1-3-8(10)12(9)11-6-14-7-16-11/h1-7H,13H2.
What are the key properties of 4-(1,3-thiazol-5-yl)quinolin-3-amine?
4-(1,3-thiazol-5-yl)quinolin-3-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 4-(1,3-thiazol-5-yl)quinolin-3-amine is sourced from PubChem (CID 155355352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).