2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazinane

C14H15BrN2S — CID 112618394

IUPAC2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazinane
SMILESCC1CNC(c2ccc(Br)c3cccnc23)SC1
InChIInChI=1S/C14H15BrN2S/c1-9-7-17-14(18-8-9)11-4-5-12(15)10-3-2-6-16-13(10)11/h2-6,9,14,17H,7-8H2,1H3
InChIKeyYZSQMZZBUOPROL-UHFFFAOYSA-N
MW323.26 g/mol
LogP3.97
Rot. Bonds1

About 2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazinane

2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazinane (PubChem CID 112618394) has the molecular formula C14H15BrN2S and a molecular weight of 323.26 g/mol. Its IUPAC name is 2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazinane.

Molecular Properties

Compound Name2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazinane
PubChem CID112618394
Molecular FormulaC14H15BrN2S
Molecular Weight323.26 g/mol
Exact Mass322.01
IUPAC Name2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazinane
SMILESCC1CNC(c2ccc(Br)c3cccnc23)SC1
InChIInChI=1S/C14H15BrN2S/c1-9-7-17-14(18-8-9)11-4-5-12(15)10-3-2-6-16-13(10)11/h2-6,9,14,17H,7-8H2,1H3
InChIKeyYZSQMZZBUOPROL-UHFFFAOYSA-N
XLogP3.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromoquinolin-8-yl)-6-methyl-1,3-thiazinane
CID 112618396
5-bromo-8-(2-methylpyrrolidin-3-yl)quinoline
CID 112618368
5-bromo-8-(5-methylpyrrolidin-3-yl)quinoline
CID 112618555
2-(5-bromoquinolin-8-yl)cyclopropan-1-amine
CID 112618257
2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazinane
CID 66225254
4-(5-bromoquinolin-8-yl)-5-ethylpyrrolidin-2-one
CID 112618670
5-methyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazinane
CID 66224794
2-[2-(methoxymethyl)phenyl]-5-methyl-1,3-thiazinane
CID 66226828
5-methyl-2-naphthalen-2-yl-1,3-thiazinane
CID 66224808
2-(5-bromoquinolin-8-yl)-1-cyclopropylpyrrolidin-3-amine
CID 115960457
5-(5-bromoquinolin-8-yl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
CID 115960680
1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 112618320

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazinane?
The IUPAC name of 2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazinane (CID 112618394) is 2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazinane.
What is the SMILES notation for 2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazinane?
The canonical SMILES for 2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazinane is CC1CNC(c2ccc(Br)c3cccnc23)SC1.
What is the InChIKey of 2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazinane?
The InChIKey is YZSQMZZBUOPROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2S/c1-9-7-17-14(18-8-9)11-4-5-12(15)10-3-2-6-16-13(10)11/h2-6,9,14,17H,7-8H2,1H3.
What are the key properties of 2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazinane?
2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazinane has a molecular weight of 323.26 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazinane is sourced from PubChem (CID 112618394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).