3-benzyl-6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazine

C11H15N3S — CID 2806874

IUPAC3-benzyl-6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazine
SMILESCSC1=NCN(Cc2ccccc2)CN1
InChIInChI=1S/C11H15N3S/c1-15-11-12-8-14(9-13-11)7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,12,13)
InChIKeyZGEXJHSSSXFXFO-UHFFFAOYSA-N
MW221.33 g/mol
LogP1.73
Rot. Bonds2

About 3-benzyl-6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazine

3-benzyl-6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazine (PubChem CID 2806874) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 3-benzyl-6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazine.

Molecular Properties

Compound Name3-benzyl-6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazine
PubChem CID2806874
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name3-benzyl-6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazine
SMILESCSC1=NCN(Cc2ccccc2)CN1
InChIInChI=1S/C11H15N3S/c1-15-11-12-8-14(9-13-11)7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,12,13)
InChIKeyZGEXJHSSSXFXFO-UHFFFAOYSA-N
XLogP1.73
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Bethanidine
CID 2368
4,5-Dihydro-N-((4-methylphenyl)methyl)-2-thiazolamine
CID 2737945
3-Benzyl-1,1-dimethyl-2-thiourea
CID 855080
4-(Benzylamino)-6-(ethylamino)-1,3,5-triazine-2-thiol
CID 976819
4-(Benzylamino)-6-(dimethylamino)-1,3,5-triazine-2-thiol
CID 976872
N-benzyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 383596
N-(4-fluorobenzyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2997276
5-methyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2997387
1,2-Dibenzylguanidine
CID 33142
N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3856622
N-Benzyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2339337
1,2-Dibenzylguanidine;hydrobromide
CID 12549981

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazine?
The IUPAC name of 3-benzyl-6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazine (CID 2806874) is 3-benzyl-6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazine.
What is the SMILES notation for 3-benzyl-6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazine?
The canonical SMILES for 3-benzyl-6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazine is CSC1=NCN(Cc2ccccc2)CN1.
What is the InChIKey of 3-benzyl-6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazine?
The InChIKey is ZGEXJHSSSXFXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-15-11-12-8-14(9-13-11)7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,12,13).
What are the key properties of 3-benzyl-6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazine?
3-benzyl-6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazine has a molecular weight of 221.33 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazine is sourced from PubChem (CID 2806874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).