phenyl N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)carbamate

C11H9N5O2S — CID 110401742

IUPACphenyl N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)carbamate
SMILESO=C(NCc1nn2cnnc2s1)Oc1ccccc1
InChIInChI=1S/C11H9N5O2S/c17-11(18-8-4-2-1-3-5-8)12-6-9-15-16-7-13-14-10(16)19-9/h1-5,7H,6H2,(H,12,17)
InChIKeyDSSHJYGRMHAELL-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.47
Rot. Bonds3

About phenyl N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)carbamate

phenyl N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)carbamate (PubChem CID 110401742) has the molecular formula C11H9N5O2S and a molecular weight of 275.29 g/mol. Its IUPAC name is phenyl N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)carbamate.

Molecular Properties

Compound Namephenyl N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)carbamate
PubChem CID110401742
Molecular FormulaC11H9N5O2S
Molecular Weight275.29 g/mol
Exact Mass275.05
IUPAC Namephenyl N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)carbamate
SMILESO=C(NCc1nn2cnnc2s1)Oc1ccccc1
InChIInChI=1S/C11H9N5O2S/c17-11(18-8-4-2-1-3-5-8)12-6-9-15-16-7-13-14-10(16)19-9/h1-5,7H,6H2,(H,12,17)
InChIKeyDSSHJYGRMHAELL-UHFFFAOYSA-N
XLogP1.47
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

phenyl N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]carbamate
CID 110401105
phenyl N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]carbamate
CID 110401408
2-bromo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide
CID 110401681
phenyl N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739115
2,6-dimethoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide
CID 110401691
2,2-dimethyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propanamide
CID 110401669
phenyl N-[(1-methylpyrazol-3-yl)methyl]carbamate
CID 82874679
3,4-difluoro-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide
CID 110401733
2,2-diphenyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]acetamide
CID 110401523
N-(4-phenylmethoxyphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385766
1-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)urea
CID 110401716
phenyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 79036776

Frequently Asked Questions

What is the IUPAC name of phenyl N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)carbamate?
The IUPAC name of phenyl N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)carbamate (CID 110401742) is phenyl N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)carbamate.
What is the SMILES notation for phenyl N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)carbamate?
The canonical SMILES for phenyl N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)carbamate is O=C(NCc1nn2cnnc2s1)Oc1ccccc1.
What is the InChIKey of phenyl N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)carbamate?
The InChIKey is DSSHJYGRMHAELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2S/c17-11(18-8-4-2-1-3-5-8)12-6-9-15-16-7-13-14-10(16)19-9/h1-5,7H,6H2,(H,12,17).
What are the key properties of phenyl N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)carbamate?
phenyl N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)carbamate has a molecular weight of 275.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)carbamate is sourced from PubChem (CID 110401742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).