2-methylpropyl N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate

C15H16N4O2S — CID 108727855

IUPAC2-methylpropyl N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate
SMILESCC(C)COC(=O)Nc1nc2scc(-c3ccccc3)n2n1
InChIInChI=1S/C15H16N4O2S/c1-10(2)8-21-15(20)17-13-16-14-19(18-13)12(9-22-14)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,17,18,20)
InChIKeyRTASJGMAKVJJIW-UHFFFAOYSA-N
MW316.39 g/mol
LogP3.66
Rot. Bonds4

About 2-methylpropyl N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate

2-methylpropyl N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate (PubChem CID 108727855) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-methylpropyl N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate
PubChem CID108727855
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name2-methylpropyl N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate
SMILESCC(C)COC(=O)Nc1nc2scc(-c3ccccc3)n2n1
InChIInChI=1S/C15H16N4O2S/c1-10(2)8-21-15(20)17-13-16-14-19(18-13)12(9-22-14)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,17,18,20)
InChIKeyRTASJGMAKVJJIW-UHFFFAOYSA-N
XLogP3.66
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-2,2-dimethyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide
CID 108751761
4-phenyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108751770
N-methyl-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 116829136
2-chloroethyl N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamate
CID 108728333
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide
CID 108811515
N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 108727880
tert-butyl N-[4-methylsulfanyl-1-oxo-1-[(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]butan-2-yl]carbamate
CID 108751752
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide
CID 108729017
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-phenoxypropanamide
CID 108729048
N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(4-propylphenoxy)acetamide
CID 108751871
4-hexoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108751813
N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide
CID 108780564

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate?
The IUPAC name of 2-methylpropyl N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate (CID 108727855) is 2-methylpropyl N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate?
The canonical SMILES for 2-methylpropyl N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate is CC(C)COC(=O)Nc1nc2scc(-c3ccccc3)n2n1.
What is the InChIKey of 2-methylpropyl N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate?
The InChIKey is RTASJGMAKVJJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-10(2)8-21-15(20)17-13-16-14-19(18-13)12(9-22-14)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,17,18,20).
What are the key properties of 2-methylpropyl N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate?
2-methylpropyl N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate has a molecular weight of 316.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate is sourced from PubChem (CID 108727855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).