1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-[3-(trifluoromethyl)phenyl]carbamate

C15H13F3N4O2S — CID 3656547

IUPAC1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-[3-(trifluoromethyl)phenyl]carbamate
SMILESCc1c(C(C)OC(=O)Nc2cccc(C(F)(F)F)c2)sc2ncnn12
InChIInChI=1S/C15H13F3N4O2S/c1-8-12(25-13-19-7-20-22(8)13)9(2)24-14(23)21-11-5-3-4-10(6-11)15(16,17)18/h3-7,9H,1-2H3,(H,21,23)
InChIKeyHCVARLLAFMEMRM-UHFFFAOYSA-N
MW370.36 g/mol
LogP4.43
Rot. Bonds3

About 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-[3-(trifluoromethyl)phenyl]carbamate

1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-[3-(trifluoromethyl)phenyl]carbamate (PubChem CID 3656547) has the molecular formula C15H13F3N4O2S and a molecular weight of 370.36 g/mol. Its IUPAC name is 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-[3-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Name1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-[3-(trifluoromethyl)phenyl]carbamate
PubChem CID3656547
Molecular FormulaC15H13F3N4O2S
Molecular Weight370.36 g/mol
Exact Mass370.07
IUPAC Name1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-[3-(trifluoromethyl)phenyl]carbamate
SMILESCc1c(C(C)OC(=O)Nc2cccc(C(F)(F)F)c2)sc2ncnn12
InChIInChI=1S/C15H13F3N4O2S/c1-8-12(25-13-19-7-20-22(8)13)9(2)24-14(23)21-11-5-3-4-10(6-11)15(16,17)18/h3-7,9H,1-2H3,(H,21,23)
InChIKeyHCVARLLAFMEMRM-UHFFFAOYSA-N
XLogP4.43
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-[3-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-[3-(trifluoromethyl)phenyl]carbamate (CID 3656547) is 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-[3-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-[3-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-[3-(trifluoromethyl)phenyl]carbamate is Cc1c(C(C)OC(=O)Nc2cccc(C(F)(F)F)c2)sc2ncnn12.
What is the InChIKey of 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-[3-(trifluoromethyl)phenyl]carbamate?
The InChIKey is HCVARLLAFMEMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O2S/c1-8-12(25-13-19-7-20-22(8)13)9(2)24-14(23)21-11-5-3-4-10(6-11)15(16,17)18/h3-7,9H,1-2H3,(H,21,23).
What are the key properties of 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-[3-(trifluoromethyl)phenyl]carbamate?
1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-[3-(trifluoromethyl)phenyl]carbamate has a molecular weight of 370.36 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-[3-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 3656547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).