5-[(6-methyl-4-methylsulfanyl-2H-1,3,5-triazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole

C10H11F3N4S2 — CID 141374842

IUPAC5-[(6-methyl-4-methylsulfanyl-2H-1,3,5-triazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole
SMILESCSC1=NCN(Cc2cnc(C(F)(F)F)s2)C(C)=N1
InChIInChI=1S/C10H11F3N4S2/c1-6-16-9(18-2)15-5-17(6)4-7-3-14-8(19-7)10(11,12)13/h3H,4-5H2,1-2H3
InChIKeyRCYDQNFSTSCZDI-UHFFFAOYSA-N
MW308.35 g/mol
LogP3.07
Rot. Bonds2

About 5-[(6-methyl-4-methylsulfanyl-2H-1,3,5-triazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole

5-[(6-methyl-4-methylsulfanyl-2H-1,3,5-triazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 141374842) has the molecular formula C10H11F3N4S2 and a molecular weight of 308.35 g/mol. Its IUPAC name is 5-[(6-methyl-4-methylsulfanyl-2H-1,3,5-triazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-[(6-methyl-4-methylsulfanyl-2H-1,3,5-triazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole
PubChem CID141374842
Molecular FormulaC10H11F3N4S2
Molecular Weight308.35 g/mol
Exact Mass308.04
IUPAC Name5-[(6-methyl-4-methylsulfanyl-2H-1,3,5-triazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole
SMILESCSC1=NCN(Cc2cnc(C(F)(F)F)s2)C(C)=N1
InChIInChI=1S/C10H11F3N4S2/c1-6-16-9(18-2)15-5-17(6)4-7-3-14-8(19-7)10(11,12)13/h3H,4-5H2,1-2H3
InChIKeyRCYDQNFSTSCZDI-UHFFFAOYSA-N
XLogP3.07
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(6-methyl-4-methylsulfanyl-2H-1,3,5-triazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole with MolForge

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Related Compounds

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-cyano-N-methylethanimidamide
CID 9837492
[1-[(2-fluoro-1,3-thiazol-5-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide
CID 15925069
[3-[(2-Fluoro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide
CID 87081656
N'-cyano-N-[(2-fluoro-1,3-thiazol-5-yl)methyl]-N-methylethanimidamide
CID 87082693
6-Methyl-4-(methylthio)-1-{[2-(trifluoromethyl)thiazol-5-yl]methyl}-1,3,5-triazin-2 (1H)-one
CID 117839312
1-N'-(1-methylsulfanylethenyl)-1-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethene-1,1-diamine
CID 122468701
4,6-Dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one
CID 122503382
1-[[2-(Trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one
CID 141374800
4-Methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one
CID 141374835
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-cyano-N-(2,2-difluoroethyl)ethanimidamide
CID 24760046
5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62750009
5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62750854

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methyl-4-methylsulfanyl-2H-1,3,5-triazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-[(6-methyl-4-methylsulfanyl-2H-1,3,5-triazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole (CID 141374842) is 5-[(6-methyl-4-methylsulfanyl-2H-1,3,5-triazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-[(6-methyl-4-methylsulfanyl-2H-1,3,5-triazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-[(6-methyl-4-methylsulfanyl-2H-1,3,5-triazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole is CSC1=NCN(Cc2cnc(C(F)(F)F)s2)C(C)=N1.
What is the InChIKey of 5-[(6-methyl-4-methylsulfanyl-2H-1,3,5-triazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is RCYDQNFSTSCZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4S2/c1-6-16-9(18-2)15-5-17(6)4-7-3-14-8(19-7)10(11,12)13/h3H,4-5H2,1-2H3.
What are the key properties of 5-[(6-methyl-4-methylsulfanyl-2H-1,3,5-triazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole?
5-[(6-methyl-4-methylsulfanyl-2H-1,3,5-triazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 308.35 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methyl-4-methylsulfanyl-2H-1,3,5-triazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 141374842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).