4-methyl-2-(2-methylquinolin-6-yl)-1,3-thiazinane

C15H18N2S — CID 105379349

IUPAC4-methyl-2-(2-methylquinolin-6-yl)-1,3-thiazinane
SMILESCc1ccc2cc(C3NC(C)CCS3)ccc2n1
InChIInChI=1S/C15H18N2S/c1-10-3-4-12-9-13(5-6-14(12)16-10)15-17-11(2)7-8-18-15/h3-6,9,11,15,17H,7-8H2,1-2H3
InChIKeyPLXNMQDZRJRIEW-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.66
Rot. Bonds1

About 4-methyl-2-(2-methylquinolin-6-yl)-1,3-thiazinane

4-methyl-2-(2-methylquinolin-6-yl)-1,3-thiazinane (PubChem CID 105379349) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 4-methyl-2-(2-methylquinolin-6-yl)-1,3-thiazinane.

Molecular Properties

Compound Name4-methyl-2-(2-methylquinolin-6-yl)-1,3-thiazinane
PubChem CID105379349
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name4-methyl-2-(2-methylquinolin-6-yl)-1,3-thiazinane
SMILESCc1ccc2cc(C3NC(C)CCS3)ccc2n1
InChIInChI=1S/C15H18N2S/c1-10-3-4-12-9-13(5-6-14(12)16-10)15-17-11(2)7-8-18-15/h3-6,9,11,15,17H,7-8H2,1-2H3
InChIKeyPLXNMQDZRJRIEW-UHFFFAOYSA-N
XLogP3.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylquinolin-6-yl)-1,3-thiazinane?
The IUPAC name of 4-methyl-2-(2-methylquinolin-6-yl)-1,3-thiazinane (CID 105379349) is 4-methyl-2-(2-methylquinolin-6-yl)-1,3-thiazinane.
What is the SMILES notation for 4-methyl-2-(2-methylquinolin-6-yl)-1,3-thiazinane?
The canonical SMILES for 4-methyl-2-(2-methylquinolin-6-yl)-1,3-thiazinane is Cc1ccc2cc(C3NC(C)CCS3)ccc2n1.
What is the InChIKey of 4-methyl-2-(2-methylquinolin-6-yl)-1,3-thiazinane?
The InChIKey is PLXNMQDZRJRIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-10-3-4-12-9-13(5-6-14(12)16-10)15-17-11(2)7-8-18-15/h3-6,9,11,15,17H,7-8H2,1-2H3.
What are the key properties of 4-methyl-2-(2-methylquinolin-6-yl)-1,3-thiazinane?
4-methyl-2-(2-methylquinolin-6-yl)-1,3-thiazinane has a molecular weight of 258.39 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylquinolin-6-yl)-1,3-thiazinane is sourced from PubChem (CID 105379349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).