[3-(phenoxymethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methanamine

C12H12N4OS — CID 82484602

IUPAC[3-(phenoxymethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methanamine
SMILESNCc1csc2nnc(COc3ccccc3)n12
InChIInChI=1S/C12H12N4OS/c13-6-9-8-18-12-15-14-11(16(9)12)7-17-10-4-2-1-3-5-10/h1-5,8H,6-7,13H2
InChIKeyILPYKQLPZPLWSF-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.83
Rot. Bonds4

About [3-(phenoxymethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methanamine

[3-(phenoxymethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methanamine (PubChem CID 82484602) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is [3-(phenoxymethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(phenoxymethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methanamine
PubChem CID82484602
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name[3-(phenoxymethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methanamine
SMILESNCc1csc2nnc(COc3ccccc3)n12
InChIInChI=1S/C12H12N4OS/c13-6-9-8-18-12-15-14-11(16(9)12)7-17-10-4-2-1-3-5-10/h1-5,8H,6-7,13H2
InChIKeyILPYKQLPZPLWSF-UHFFFAOYSA-N
XLogP1.83
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-bis(phenoxymethyl)-1,2,4-triazol-4-amine
CID 626571
[1-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]methanamine
CID 82472130
3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117256973
(5-propan-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)methanamine
CID 82105459
6-cyclohexyl-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 850485
6-(4-methylphenyl)-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 937893
6-(4-chlorophenyl)-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 931850
6-bromo-3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080163
4-ethyl-3-methylsulfanyl-5-(phenoxymethyl)-1,2,4-triazole
CID 862964
3-benzyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 86260022
5-(phenoxymethyl)-1,3-thiazole-4-carboxylic acid
CID 117214552
3-(phenoxymethyl)-6-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 985623

Frequently Asked Questions

What is the IUPAC name of [3-(phenoxymethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methanamine?
The IUPAC name of [3-(phenoxymethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methanamine (CID 82484602) is [3-(phenoxymethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methanamine.
What is the SMILES notation for [3-(phenoxymethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methanamine?
The canonical SMILES for [3-(phenoxymethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methanamine is NCc1csc2nnc(COc3ccccc3)n12.
What is the InChIKey of [3-(phenoxymethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methanamine?
The InChIKey is ILPYKQLPZPLWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c13-6-9-8-18-12-15-14-11(16(9)12)7-17-10-4-2-1-3-5-10/h1-5,8H,6-7,13H2.
What are the key properties of [3-(phenoxymethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methanamine?
[3-(phenoxymethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methanamine has a molecular weight of 260.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(phenoxymethyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methanamine is sourced from PubChem (CID 82484602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).