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

C15H16N4O2S — CID 53321917

IUPAC1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-methyl-N-phenylcarbamate
SMILESCc1c(C(C)OC(=O)N(C)c2ccccc2)sc2ncnn12
InChIInChI=1S/C15H16N4O2S/c1-10-13(22-14-16-9-17-19(10)14)11(2)21-15(20)18(3)12-7-5-4-6-8-12/h4-9,11H,1-3H3
InChIKeyIEKLDABYSCMDOV-UHFFFAOYSA-N
MW316.39 g/mol
LogP3.43
Rot. Bonds3

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

1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-methyl-N-phenylcarbamate (PubChem CID 53321917) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-methyl-N-phenylcarbamate.

Molecular Properties

Compound Name1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-methyl-N-phenylcarbamate
PubChem CID53321917
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-methyl-N-phenylcarbamate
SMILESCc1c(C(C)OC(=O)N(C)c2ccccc2)sc2ncnn12
InChIInChI=1S/C15H16N4O2S/c1-10-13(22-14-16-9-17-19(10)14)11(2)21-15(20)18(3)12-7-5-4-6-8-12/h4-9,11H,1-3H3
InChIKeyIEKLDABYSCMDOV-UHFFFAOYSA-N
XLogP3.43
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 53.43
H-Bond Donors ≤ 50
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-methyl-N-phenylcarbamate?
The IUPAC name of 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-methyl-N-phenylcarbamate (CID 53321917) is 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-methyl-N-phenylcarbamate.
What is the SMILES notation for 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-methyl-N-phenylcarbamate?
The canonical SMILES for 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-methyl-N-phenylcarbamate is Cc1c(C(C)OC(=O)N(C)c2ccccc2)sc2ncnn12.
What is the InChIKey of 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-methyl-N-phenylcarbamate?
The InChIKey is IEKLDABYSCMDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-10-13(22-14-16-9-17-19(10)14)11(2)21-15(20)18(3)12-7-5-4-6-8-12/h4-9,11H,1-3H3.
What are the key properties of 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-methyl-N-phenylcarbamate?
1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-methyl-N-phenylcarbamate has a molecular weight of 316.39 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 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-methyl-N-phenylcarbamate is sourced from PubChem (CID 53321917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).