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

C15H18FN3O2S — CID 67994499

IUPAC6-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione
SMILESCCSc1nc(=O)n(C(C)C)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C15H18FN3O2S/c1-4-22-14-17-13(20)19(10(2)3)15(21)18(14)9-11-5-7-12(16)8-6-11/h5-8,10H,4,9H2,1-3H3
InChIKeyADDULZCPACLKKK-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.29
Rot. Bonds5

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

6-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione (PubChem CID 67994499) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is 6-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione
PubChem CID67994499
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC Name6-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione
SMILESCCSc1nc(=O)n(C(C)C)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C15H18FN3O2S/c1-4-22-14-17-13(20)19(10(2)3)15(21)18(14)9-11-5-7-12(16)8-6-11/h5-8,10H,4,9H2,1-3H3
InChIKeyADDULZCPACLKKK-UHFFFAOYSA-N
XLogP2.29
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-(Ethylthio)-1-(2,4,5-trifluorobenzyl)-1,3,5-triazine-2,4(1H,3H)-dione
CID 164674745
3-(tert-Butyl)-6-(ethylthio)-1-(2,4,5-trifluorobenzyl)-1,3,5-triazine-2,4(1H,3H)-dione
CID 164674893
3-[(4-Fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione
CID 58295005
3-[(4-fluorophenyl)methyl]-6-methylsulfanyl-1H-1,3,5-triazine-2,4-dione
CID 59550686
1-[(4-Fluorophenyl)methyl]-6-methyl-3-propan-2-yl-1,3,5-triazine-2,4-dione
CID 58578646
methyl N-[[(4-fluorophenyl)methyl-(methoxycarbonylcarbamoyl)amino]-methylsulfanylmethylidene]carbamate
CID 69377015
1-[5-Fluoro-4-(methylaminomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-3-[(3-fluorophenyl)methyl]urea
CID 71036199
6-Ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazinane-2,4-dione
CID 77393814
N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[(3-fluorophenyl)methyl]formamide
CID 87365139
1-(4-Fluorobenzyl)-6-methyl-4-(methylthio)-1,3,5-triazin-2(1H)-one
CID 117998874
6-Ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-2,4-dihydro-1,3,5-triazine
CID 141325576
1-(Ethylsulfanylmethyl)-1-[(4-fluorophenyl)methyl]-3-(methylidenecarbamoyl)-3-propan-2-ylurea
CID 144039306

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione (CID 67994499) is 6-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione is CCSc1nc(=O)n(C(C)C)c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of 6-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione?
The InChIKey is ADDULZCPACLKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-4-22-14-17-13(20)19(10(2)3)15(21)18(14)9-11-5-7-12(16)8-6-11/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 6-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione?
6-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione has a molecular weight of 323.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 67994499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).