4-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one

C9H7F3N4OS — CID 141374835

IUPAC4-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one
SMILESCc1ncn(Cc2cnc(C(F)(F)F)s2)c(=O)n1
InChIInChI=1S/C9H7F3N4OS/c1-5-14-4-16(8(17)15-5)3-6-2-13-7(18-6)9(10,11)12/h2,4H,3H2,1H3
InChIKeyPKCIKBOACOFOEN-UHFFFAOYSA-N
MW276.24 g/mol
LogP1.47
Rot. Bonds2

About 4-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one

4-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one (PubChem CID 141374835) has the molecular formula C9H7F3N4OS and a molecular weight of 276.24 g/mol. Its IUPAC name is 4-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one
PubChem CID141374835
Molecular FormulaC9H7F3N4OS
Molecular Weight276.24 g/mol
Exact Mass276.03
IUPAC Name4-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one
SMILESCc1ncn(Cc2cnc(C(F)(F)F)s2)c(=O)n1
InChIInChI=1S/C9H7F3N4OS/c1-5-14-4-16(8(17)15-5)3-6-2-13-7(18-6)9(10,11)12/h2,4H,3H2,1H3
InChIKeyPKCIKBOACOFOEN-UHFFFAOYSA-N
XLogP1.47
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
methyl N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylcarbamoyl]carbamimidothioate
CID 117839982
4,6-Dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one
CID 122503382
methyl N'-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylcarbamoyl]carbamimidothioate
CID 123377786
CID 140668408
CID 140668408
1-[[2-(Trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one
CID 141374800
5-[(6-methyl-4-methylsulfanyl-2H-1,3,5-triazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole
CID 141374842
1-(Aminomethylidene)-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]urea
CID 174738730
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-cyano-N-(2,2-difluoroethyl)ethanimidamide
CID 24760046
2,2,2-trifluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 62729347
2,2-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 103515099

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one?
The IUPAC name of 4-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one (CID 141374835) is 4-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one.
What is the SMILES notation for 4-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one?
The canonical SMILES for 4-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one is Cc1ncn(Cc2cnc(C(F)(F)F)s2)c(=O)n1.
What is the InChIKey of 4-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one?
The InChIKey is PKCIKBOACOFOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4OS/c1-5-14-4-16(8(17)15-5)3-6-2-13-7(18-6)9(10,11)12/h2,4H,3H2,1H3.
What are the key properties of 4-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one?
4-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one has a molecular weight of 276.24 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one is sourced from PubChem (CID 141374835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).