1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]-N-methylmethanamine

C14H12BrN3S — CID 112618320

IUPAC1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCNCc1csc(-c2ccc(Br)c3cccnc23)n1
InChIInChI=1S/C14H12BrN3S/c1-16-7-9-8-19-14(18-9)11-4-5-12(15)10-3-2-6-17-13(10)11/h2-6,8,16H,7H2,1H3
InChIKeyRFFWTBMWJLZVQW-UHFFFAOYSA-N
MW334.24 g/mol
LogP3.84
Rot. Bonds3

About 1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]-N-methylmethanamine

1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]-N-methylmethanamine (PubChem CID 112618320) has the molecular formula C14H12BrN3S and a molecular weight of 334.24 g/mol. Its IUPAC name is 1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
PubChem CID112618320
Molecular FormulaC14H12BrN3S
Molecular Weight334.24 g/mol
Exact Mass332.99
IUPAC Name1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCNCc1csc(-c2ccc(Br)c3cccnc23)n1
InChIInChI=1S/C14H12BrN3S/c1-16-7-9-8-19-14(18-9)11-4-5-12(15)10-3-2-6-17-13(10)11/h2-6,8,16H,7H2,1H3
InChIKeyRFFWTBMWJLZVQW-UHFFFAOYSA-N
XLogP3.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]-N-methylmethanamine (CID 112618320) is 1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]-N-methylmethanamine is CNCc1csc(-c2ccc(Br)c3cccnc23)n1.
What is the InChIKey of 1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The InChIKey is RFFWTBMWJLZVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3S/c1-16-7-9-8-19-14(18-9)11-4-5-12(15)10-3-2-6-17-13(10)11/h2-6,8,16H,7H2,1H3.
What are the key properties of 1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]-N-methylmethanamine?
1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]-N-methylmethanamine has a molecular weight of 334.24 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 112618320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).