2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-amine

C8H11N5OS — CID 67958100

IUPAC2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-amine
SMILESCOCc1ncc(Cn2ncc(N)n2)s1
InChIInChI=1S/C8H11N5OS/c1-14-5-8-10-2-6(15-8)4-13-11-3-7(9)12-13/h2-3H,4-5H2,1H3,(H2,9,12)
InChIKeyNAQZHHZUTOKFLF-UHFFFAOYSA-N
MW225.28 g/mol
LogP0.51
Rot. Bonds4

About 2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-amine

2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-amine (PubChem CID 67958100) has the molecular formula C8H11N5OS and a molecular weight of 225.28 g/mol. Its IUPAC name is 2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-amine.

Molecular Properties

Compound Name2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-amine
PubChem CID67958100
Molecular FormulaC8H11N5OS
Molecular Weight225.28 g/mol
Exact Mass225.07
IUPAC Name2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-amine
SMILESCOCc1ncc(Cn2ncc(N)n2)s1
InChIInChI=1S/C8H11N5OS/c1-14-5-8-10-2-6(15-8)4-13-11-3-7(9)12-13/h2-3H,4-5H2,1H3,(H2,9,12)
InChIKeyNAQZHHZUTOKFLF-UHFFFAOYSA-N
XLogP0.51
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-amine?
The IUPAC name of 2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-amine (CID 67958100) is 2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-amine.
What is the SMILES notation for 2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-amine?
The canonical SMILES for 2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-amine is COCc1ncc(Cn2ncc(N)n2)s1.
What is the InChIKey of 2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-amine?
The InChIKey is NAQZHHZUTOKFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5OS/c1-14-5-8-10-2-6(15-8)4-13-11-3-7(9)12-13/h2-3H,4-5H2,1H3,(H2,9,12).
What are the key properties of 2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-amine?
2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-amine has a molecular weight of 225.28 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]triazol-4-amine is sourced from PubChem (CID 67958100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).