4-(5-bromoquinolin-8-yl)-1,3-thiazol-5-amine

C12H8BrN3S — CID 112618374

IUPAC4-(5-bromoquinolin-8-yl)-1,3-thiazol-5-amine
SMILESNc1scnc1-c1ccc(Br)c2cccnc12
InChIInChI=1S/C12H8BrN3S/c13-9-4-3-8(11-12(14)17-6-16-11)10-7(9)2-1-5-15-10/h1-6H,14H2
InChIKeyFTGAITRBMVXMCC-UHFFFAOYSA-N
MW306.19 g/mol
LogP3.70
Rot. Bonds1

About 4-(5-bromoquinolin-8-yl)-1,3-thiazol-5-amine

4-(5-bromoquinolin-8-yl)-1,3-thiazol-5-amine (PubChem CID 112618374) has the molecular formula C12H8BrN3S and a molecular weight of 306.19 g/mol. Its IUPAC name is 4-(5-bromoquinolin-8-yl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-(5-bromoquinolin-8-yl)-1,3-thiazol-5-amine
PubChem CID112618374
Molecular FormulaC12H8BrN3S
Molecular Weight306.19 g/mol
Exact Mass304.96
IUPAC Name4-(5-bromoquinolin-8-yl)-1,3-thiazol-5-amine
SMILESNc1scnc1-c1ccc(Br)c2cccnc12
InChIInChI=1S/C12H8BrN3S/c13-9-4-3-8(11-12(14)17-6-16-11)10-7(9)2-1-5-15-10/h1-6H,14H2
InChIKeyFTGAITRBMVXMCC-UHFFFAOYSA-N
XLogP3.70
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromoquinolin-8-yl)-1,3-thiazol-5-amine?
The IUPAC name of 4-(5-bromoquinolin-8-yl)-1,3-thiazol-5-amine (CID 112618374) is 4-(5-bromoquinolin-8-yl)-1,3-thiazol-5-amine.
What is the SMILES notation for 4-(5-bromoquinolin-8-yl)-1,3-thiazol-5-amine?
The canonical SMILES for 4-(5-bromoquinolin-8-yl)-1,3-thiazol-5-amine is Nc1scnc1-c1ccc(Br)c2cccnc12.
What is the InChIKey of 4-(5-bromoquinolin-8-yl)-1,3-thiazol-5-amine?
The InChIKey is FTGAITRBMVXMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3S/c13-9-4-3-8(11-12(14)17-6-16-11)10-7(9)2-1-5-15-10/h1-6H,14H2.
What are the key properties of 4-(5-bromoquinolin-8-yl)-1,3-thiazol-5-amine?
4-(5-bromoquinolin-8-yl)-1,3-thiazol-5-amine has a molecular weight of 306.19 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromoquinolin-8-yl)-1,3-thiazol-5-amine is sourced from PubChem (CID 112618374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).