1-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl)ethyl N-(3-fluorophenyl)carbamate

C14H13FN4O2S — CID 53325899

IUPAC1-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl)ethyl N-(3-fluorophenyl)carbamate
SMILESCc1c(C(C)OC(=O)Nc2cccc(F)c2)sc2nncn12
InChIInChI=1S/C14H13FN4O2S/c1-8-12(22-13-18-16-7-19(8)13)9(2)21-14(20)17-11-5-3-4-10(15)6-11/h3-7,9H,1-2H3,(H,17,20)
InChIKeyHXUSUWGGPOJXNZ-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.55
Rot. Bonds3

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

1-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl)ethyl N-(3-fluorophenyl)carbamate (PubChem CID 53325899) has the molecular formula C14H13FN4O2S and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl)ethyl N-(3-fluorophenyl)carbamate.

Molecular Properties

Compound Name1-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl)ethyl N-(3-fluorophenyl)carbamate
PubChem CID53325899
Molecular FormulaC14H13FN4O2S
Molecular Weight320.35 g/mol
Exact Mass320.07
IUPAC Name1-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl)ethyl N-(3-fluorophenyl)carbamate
SMILESCc1c(C(C)OC(=O)Nc2cccc(F)c2)sc2nncn12
InChIInChI=1S/C14H13FN4O2S/c1-8-12(22-13-18-16-7-19(8)13)9(2)21-14(20)17-11-5-3-4-10(15)6-11/h3-7,9H,1-2H3,(H,17,20)
InChIKeyHXUSUWGGPOJXNZ-UHFFFAOYSA-N
XLogP3.55
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Gsk2210875
CID 1489963
1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-pyridin-3-ylcarbamate
CID 44136109
1-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl)ethyl N-phenylcarbamate
CID 44136507
1-(3-methylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl N-phenylcarbamate
CID 53323263
[(1R)-1-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl)ethyl] N-(3-fluorophenyl)carbamate
CID 53316688
1-([1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-phenylcarbamate
CID 44136108
1-(6-methyl[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-phenylcarbamate
CID 3655510
(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl N-phenylcarbamate
CID 44136508
[(1S)-1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl] N-phenylcarbamate
CID 1489964
[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylmethyl N-phenylcarbamate
CID 53317971
1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-methyl-N-phenylcarbamate
CID 53321917
1-(6-methyl[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 3656547

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl)ethyl N-(3-fluorophenyl)carbamate?
The IUPAC name of 1-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl)ethyl N-(3-fluorophenyl)carbamate (CID 53325899) is 1-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl)ethyl N-(3-fluorophenyl)carbamate.
What is the SMILES notation for 1-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl)ethyl N-(3-fluorophenyl)carbamate?
The canonical SMILES for 1-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl)ethyl N-(3-fluorophenyl)carbamate is Cc1c(C(C)OC(=O)Nc2cccc(F)c2)sc2nncn12.
What is the InChIKey of 1-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl)ethyl N-(3-fluorophenyl)carbamate?
The InChIKey is HXUSUWGGPOJXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2S/c1-8-12(22-13-18-16-7-19(8)13)9(2)21-14(20)17-11-5-3-4-10(15)6-11/h3-7,9H,1-2H3,(H,17,20).
What are the key properties of 1-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl)ethyl N-(3-fluorophenyl)carbamate?
1-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl)ethyl N-(3-fluorophenyl)carbamate has a molecular weight of 320.35 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl)ethyl N-(3-fluorophenyl)carbamate is sourced from PubChem (CID 53325899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).