6-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-2,4-dihydro-1,3,5-triazine

C15H22FN3S — CID 141325576

IUPAC6-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-2,4-dihydro-1,3,5-triazine
SMILESCCSC1=NCN(C(C)C)CN1Cc1ccc(F)cc1
InChIInChI=1S/C15H22FN3S/c1-4-20-15-17-10-19(12(2)3)11-18(15)9-13-5-7-14(16)8-6-13/h5-8,12H,4,9-11H2,1-3H3
InChIKeyKGMCMROWHYNNDG-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.38
Rot. Bonds4

About 6-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-2,4-dihydro-1,3,5-triazine

6-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-2,4-dihydro-1,3,5-triazine (PubChem CID 141325576) has the molecular formula C15H22FN3S and a molecular weight of 295.43 g/mol. Its IUPAC name is 6-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-2,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name6-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-2,4-dihydro-1,3,5-triazine
PubChem CID141325576
Molecular FormulaC15H22FN3S
Molecular Weight295.43 g/mol
Exact Mass295.15
IUPAC Name6-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-2,4-dihydro-1,3,5-triazine
SMILESCCSC1=NCN(C(C)C)CN1Cc1ccc(F)cc1
InChIInChI=1S/C15H22FN3S/c1-4-20-15-17-10-19(12(2)3)11-18(15)9-13-5-7-14(16)8-6-13/h5-8,12H,4,9-11H2,1-3H3
InChIKeyKGMCMROWHYNNDG-UHFFFAOYSA-N
XLogP3.38
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-2,4-dihydro-1,3,5-triazine with MolForge

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Related Compounds

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
ethyl N,N-dibenzyl-N'-prop-2-enylcarbamimidothioate;hydrochloride
CID 20407621
ethyl N,N-dibenzyl-N'-prop-2-enylcarbamimidothioate;hydroiodide
CID 44582558
3-Isopropyl-2-isopropylamino-4-phenylthiazolium chloride
CID 203301
N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 2733074
ethyl N-benzyl-N'-methylcarbamimidothioate
CID 44390482
propyl N-benzyl-N'-methylcarbamimidothioate
CID 44390483
ethyl N,N-dibenzyl-N'-prop-2-enylcarbamimidothioate;hydrobromide
CID 44582557
N-benzyl-N-[(4-fluorophenyl)methyl]-5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide
CID 45927237
3-(tert-Butyl)-6-(ethylthio)-1-(2,4,5-trifluorobenzyl)-1,3,5-triazine-2,4(1H,3H)-dione
CID 164674893
5-(4-Fluorophenyl)-2,3-dihydro-5h-thiazolo[3,2-a]-pyrimidine
CID 129708334

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-2,4-dihydro-1,3,5-triazine?
The IUPAC name of 6-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-2,4-dihydro-1,3,5-triazine (CID 141325576) is 6-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-2,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 6-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-2,4-dihydro-1,3,5-triazine?
The canonical SMILES for 6-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-2,4-dihydro-1,3,5-triazine is CCSC1=NCN(C(C)C)CN1Cc1ccc(F)cc1.
What is the InChIKey of 6-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-2,4-dihydro-1,3,5-triazine?
The InChIKey is KGMCMROWHYNNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3S/c1-4-20-15-17-10-19(12(2)3)11-18(15)9-13-5-7-14(16)8-6-13/h5-8,12H,4,9-11H2,1-3H3.
What are the key properties of 6-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-2,4-dihydro-1,3,5-triazine?
6-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-2,4-dihydro-1,3,5-triazine has a molecular weight of 295.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-2,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 141325576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).