1-(2,6-dimethylphenyl)-4-thiomorpholin-3-yl-1,3,5-triazin-2-one

C15H18N4OS — CID 70506586

IUPAC1-(2,6-dimethylphenyl)-4-thiomorpholin-3-yl-1,3,5-triazin-2-one
SMILESCc1cccc(C)c1-n1cnc(C2CSCCN2)nc1=O
InChIInChI=1S/C15H18N4OS/c1-10-4-3-5-11(2)13(10)19-9-17-14(18-15(19)20)12-8-21-7-6-16-12/h3-5,9,12,16H,6-8H2,1-2H3
InChIKeyHWZOZICPDHWNQZ-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.62
Rot. Bonds2

About 1-(2,6-dimethylphenyl)-4-thiomorpholin-3-yl-1,3,5-triazin-2-one

1-(2,6-dimethylphenyl)-4-thiomorpholin-3-yl-1,3,5-triazin-2-one (PubChem CID 70506586) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-4-thiomorpholin-3-yl-1,3,5-triazin-2-one.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-4-thiomorpholin-3-yl-1,3,5-triazin-2-one
PubChem CID70506586
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name1-(2,6-dimethylphenyl)-4-thiomorpholin-3-yl-1,3,5-triazin-2-one
SMILESCc1cccc(C)c1-n1cnc(C2CSCCN2)nc1=O
InChIInChI=1S/C15H18N4OS/c1-10-4-3-5-11(2)13(10)19-9-17-14(18-15(19)20)12-8-21-7-6-16-12/h3-5,9,12,16H,6-8H2,1-2H3
InChIKeyHWZOZICPDHWNQZ-UHFFFAOYSA-N
XLogP1.62
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-[5-(2,6-dimethylphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide
CID 54073718
3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)thiomorpholine
CID 82904097
4-(butylamino)-1-(2,6-dimethylphenyl)-1,3,5-triazin-2-one;hydrochloride
CID 20563434
(3R)-3-(3-methoxyphenyl)thiomorpholine
CID 51401832
3-(2-methyl-1,3-thiazol-4-yl)thiomorpholine
CID 82397404
N-(2,6-dimethylphenyl)thiomorpholine-3-carboxamide
CID 82905655
2-methyl-5-thiomorpholin-3-yl-1,3-oxazole
CID 105441296
3-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]thiomorpholine
CID 105484126
(3S)-3-pyridin-3-ylthiomorpholine
CID 26369463
3-pyridin-3-ylthiomorpholine
CID 3873279
3-(7-methylimidazo[1,5-a]pyridin-3-yl)thiomorpholine
CID 105493450
10-methyl-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one
CID 82909395

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-4-thiomorpholin-3-yl-1,3,5-triazin-2-one?
The IUPAC name of 1-(2,6-dimethylphenyl)-4-thiomorpholin-3-yl-1,3,5-triazin-2-one (CID 70506586) is 1-(2,6-dimethylphenyl)-4-thiomorpholin-3-yl-1,3,5-triazin-2-one.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-4-thiomorpholin-3-yl-1,3,5-triazin-2-one?
The canonical SMILES for 1-(2,6-dimethylphenyl)-4-thiomorpholin-3-yl-1,3,5-triazin-2-one is Cc1cccc(C)c1-n1cnc(C2CSCCN2)nc1=O.
What is the InChIKey of 1-(2,6-dimethylphenyl)-4-thiomorpholin-3-yl-1,3,5-triazin-2-one?
The InChIKey is HWZOZICPDHWNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-10-4-3-5-11(2)13(10)19-9-17-14(18-15(19)20)12-8-21-7-6-16-12/h3-5,9,12,16H,6-8H2,1-2H3.
What are the key properties of 1-(2,6-dimethylphenyl)-4-thiomorpholin-3-yl-1,3,5-triazin-2-one?
1-(2,6-dimethylphenyl)-4-thiomorpholin-3-yl-1,3,5-triazin-2-one has a molecular weight of 302.40 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-4-thiomorpholin-3-yl-1,3,5-triazin-2-one is sourced from PubChem (CID 70506586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).