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

C15H16N4O2S — CID 3569181

IUPAC1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)OC(C)c2sc3ncnn3c2C)c1
InChIInChI=1S/C15H16N4O2S/c1-9-5-4-6-12(7-9)18-15(20)21-11(3)13-10(2)19-14(22-13)16-8-17-19/h4-8,11H,1-3H3,(H,18,20)
InChIKeyFGKNXFAXRBPBEH-UHFFFAOYSA-N
MW316.39 g/mol
LogP3.72
Rot. Bonds3

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

1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(3-methylphenyl)carbamate (PubChem CID 3569181) 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-(3-methylphenyl)carbamate.

Molecular Properties

Compound Name1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(3-methylphenyl)carbamate
PubChem CID3569181
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-(3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)OC(C)c2sc3ncnn3c2C)c1
InChIInChI=1S/C15H16N4O2S/c1-9-5-4-6-12(7-9)18-15(20)21-11(3)13-10(2)19-14(22-13)16-8-17-19/h4-8,11H,1-3H3,(H,18,20)
InChIKeyFGKNXFAXRBPBEH-UHFFFAOYSA-N
XLogP3.72
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(1S)-1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl] thiophene-2-carboxylate
CID 7097826
[(1R)-1-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl)ethyl] N-(3-fluorophenyl)carbamate
CID 53316688
1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-(3-methylphenyl)carbamate
CID 10783488
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945
1-(6-methyl-[1,3]oxazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(2-chlorophenyl)carbamate
CID 53325597
N-(3-methylphenyl)acetamide
CID 10843
ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096
(2,5-dioxopyrrolidin-1-yl) N-(3-methylphenyl)carbamate
CID 88553951
(2S)-2-(methylamino)-N-(3-methylphenyl)propanamide
CID 59393630
N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(3-methylphenyl)oxamide
CID 71888750
(2S)-2-(carbamoylamino)-N-(3-methylphenyl)propanamide
CID 32704805
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094

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-methylphenyl)carbamate?
The IUPAC name of 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(3-methylphenyl)carbamate (CID 3569181) is 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(3-methylphenyl)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-methylphenyl)carbamate?
The canonical SMILES for 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(3-methylphenyl)carbamate is Cc1cccc(NC(=O)OC(C)c2sc3ncnn3c2C)c1.
What is the InChIKey of 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(3-methylphenyl)carbamate?
The InChIKey is FGKNXFAXRBPBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-9-5-4-6-12(7-9)18-15(20)21-11(3)13-10(2)19-14(22-13)16-8-17-19/h4-8,11H,1-3H3,(H,18,20).
What are the key properties of 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(3-methylphenyl)carbamate?
1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(3-methylphenyl)carbamate has a molecular weight of 316.39 g/mol, XLogP of 3.72, 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-methylphenyl)carbamate is sourced from PubChem (CID 3569181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).