[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylmethyl N-phenylcarbamate

C12H10N4O2S — CID 53317971

IUPAC[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylmethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCc1cn2ncnc2s1
InChIInChI=1S/C12H10N4O2S/c17-12(15-9-4-2-1-3-5-9)18-7-10-6-16-11(19-10)13-8-14-16/h1-6,8H,7H2,(H,15,17)
InChIKeySONPUYUNALZLLZ-UHFFFAOYSA-N
MW274.31 g/mol
LogP2.54
Rot. Bonds3

About [1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylmethyl N-phenylcarbamate

[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylmethyl N-phenylcarbamate (PubChem CID 53317971) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is [1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylmethyl N-phenylcarbamate.

Molecular Properties

Compound Name[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylmethyl N-phenylcarbamate
PubChem CID53317971
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC Name[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylmethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCc1cn2ncnc2s1
InChIInChI=1S/C12H10N4O2S/c17-12(15-9-4-2-1-3-5-9)18-7-10-6-16-11(19-10)13-8-14-16/h1-6,8H,7H2,(H,15,17)
InChIKeySONPUYUNALZLLZ-UHFFFAOYSA-N
XLogP2.54
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 52.54
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-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl)ethyl N-(3-fluorophenyl)carbamate
CID 53325899
[(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-(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-(4-fluorophenyl)carbamate
CID 4617128
[2,2,2-trifluoro-1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl] N-phenylcarbamate
CID 44136382

Frequently Asked Questions

What is the IUPAC name of [1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylmethyl N-phenylcarbamate?
The IUPAC name of [1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylmethyl N-phenylcarbamate (CID 53317971) is [1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylmethyl N-phenylcarbamate.
What is the SMILES notation for [1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylmethyl N-phenylcarbamate?
The canonical SMILES for [1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylmethyl N-phenylcarbamate is O=C(Nc1ccccc1)OCc1cn2ncnc2s1.
What is the InChIKey of [1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylmethyl N-phenylcarbamate?
The InChIKey is SONPUYUNALZLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c17-12(15-9-4-2-1-3-5-9)18-7-10-6-16-11(19-10)13-8-14-16/h1-6,8H,7H2,(H,15,17).
What are the key properties of [1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylmethyl N-phenylcarbamate?
[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylmethyl N-phenylcarbamate has a molecular weight of 274.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylmethyl N-phenylcarbamate is sourced from PubChem (CID 53317971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).