2-(7-bromo-4H-indeno[1,2-d][1,3]thiazol-2-yl)-N-methylethanamine

C13H13BrN2S — CID 114265445

IUPAC2-(7-bromo-4H-indeno[1,2-d][1,3]thiazol-2-yl)-N-methylethanamine
SMILESCNCCc1nc2c(s1)Cc1ccc(Br)cc1-2
InChIInChI=1S/C13H13BrN2S/c1-15-5-4-12-16-13-10-7-9(14)3-2-8(10)6-11(13)17-12/h2-3,7,15H,4-6H2,1H3
InChIKeyYQLWUMLEJRINLK-UHFFFAOYSA-N
MW309.23 g/mol
LogP3.24
Rot. Bonds3

About 2-(7-bromo-4H-indeno[1,2-d][1,3]thiazol-2-yl)-N-methylethanamine

2-(7-bromo-4H-indeno[1,2-d][1,3]thiazol-2-yl)-N-methylethanamine (PubChem CID 114265445) has the molecular formula C13H13BrN2S and a molecular weight of 309.23 g/mol. Its IUPAC name is 2-(7-bromo-4H-indeno[1,2-d][1,3]thiazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(7-bromo-4H-indeno[1,2-d][1,3]thiazol-2-yl)-N-methylethanamine
PubChem CID114265445
Molecular FormulaC13H13BrN2S
Molecular Weight309.23 g/mol
Exact Mass308.00
IUPAC Name2-(7-bromo-4H-indeno[1,2-d][1,3]thiazol-2-yl)-N-methylethanamine
SMILESCNCCc1nc2c(s1)Cc1ccc(Br)cc1-2
InChIInChI=1S/C13H13BrN2S/c1-15-5-4-12-16-13-10-7-9(14)3-2-8(10)6-11(13)17-12/h2-3,7,15H,4-6H2,1H3
InChIKeyYQLWUMLEJRINLK-UHFFFAOYSA-N
XLogP3.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-4H-indeno[1,2-d][1,3]thiazol-2-yl)-N-methylethanamine?
The IUPAC name of 2-(7-bromo-4H-indeno[1,2-d][1,3]thiazol-2-yl)-N-methylethanamine (CID 114265445) is 2-(7-bromo-4H-indeno[1,2-d][1,3]thiazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(7-bromo-4H-indeno[1,2-d][1,3]thiazol-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(7-bromo-4H-indeno[1,2-d][1,3]thiazol-2-yl)-N-methylethanamine is CNCCc1nc2c(s1)Cc1ccc(Br)cc1-2.
What is the InChIKey of 2-(7-bromo-4H-indeno[1,2-d][1,3]thiazol-2-yl)-N-methylethanamine?
The InChIKey is YQLWUMLEJRINLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2S/c1-15-5-4-12-16-13-10-7-9(14)3-2-8(10)6-11(13)17-12/h2-3,7,15H,4-6H2,1H3.
What are the key properties of 2-(7-bromo-4H-indeno[1,2-d][1,3]thiazol-2-yl)-N-methylethanamine?
2-(7-bromo-4H-indeno[1,2-d][1,3]thiazol-2-yl)-N-methylethanamine has a molecular weight of 309.23 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-4H-indeno[1,2-d][1,3]thiazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 114265445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).