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

C10H11N5O2S — CID 141238253

IUPAC2-[[2-(2-methyl-1,3-dioxol-2-yl)-1,3-thiazol-5-yl]methyl]triazol-4-amine
SMILESCC1(c2ncc(Cn3ncc(N)n3)s2)OC=CO1
InChIInChI=1S/C10H11N5O2S/c1-10(16-2-3-17-10)9-12-4-7(18-9)6-15-13-5-8(11)14-15/h2-5H,6H2,1H3,(H2,11,14)
InChIKeyIRGPXZBXLNPDIX-UHFFFAOYSA-N
MW265.30 g/mol
LogP1.06
Rot. Bonds3

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

2-[[2-(2-methyl-1,3-dioxol-2-yl)-1,3-thiazol-5-yl]methyl]triazol-4-amine (PubChem CID 141238253) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is 2-[[2-(2-methyl-1,3-dioxol-2-yl)-1,3-thiazol-5-yl]methyl]triazol-4-amine.

Molecular Properties

Compound Name2-[[2-(2-methyl-1,3-dioxol-2-yl)-1,3-thiazol-5-yl]methyl]triazol-4-amine
PubChem CID141238253
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC Name2-[[2-(2-methyl-1,3-dioxol-2-yl)-1,3-thiazol-5-yl]methyl]triazol-4-amine
SMILESCC1(c2ncc(Cn3ncc(N)n3)s2)OC=CO1
InChIInChI=1S/C10H11N5O2S/c1-10(16-2-3-17-10)9-12-4-7(18-9)6-15-13-5-8(11)14-15/h2-5H,6H2,1H3,(H2,11,14)
InChIKeyIRGPXZBXLNPDIX-UHFFFAOYSA-N
XLogP1.06
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methyl-1,3-dioxol-2-yl)-1,3-thiazol-5-yl]methyl]triazol-4-amine?
The IUPAC name of 2-[[2-(2-methyl-1,3-dioxol-2-yl)-1,3-thiazol-5-yl]methyl]triazol-4-amine (CID 141238253) is 2-[[2-(2-methyl-1,3-dioxol-2-yl)-1,3-thiazol-5-yl]methyl]triazol-4-amine.
What is the SMILES notation for 2-[[2-(2-methyl-1,3-dioxol-2-yl)-1,3-thiazol-5-yl]methyl]triazol-4-amine?
The canonical SMILES for 2-[[2-(2-methyl-1,3-dioxol-2-yl)-1,3-thiazol-5-yl]methyl]triazol-4-amine is CC1(c2ncc(Cn3ncc(N)n3)s2)OC=CO1.
What is the InChIKey of 2-[[2-(2-methyl-1,3-dioxol-2-yl)-1,3-thiazol-5-yl]methyl]triazol-4-amine?
The InChIKey is IRGPXZBXLNPDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S/c1-10(16-2-3-17-10)9-12-4-7(18-9)6-15-13-5-8(11)14-15/h2-5H,6H2,1H3,(H2,11,14).
What are the key properties of 2-[[2-(2-methyl-1,3-dioxol-2-yl)-1,3-thiazol-5-yl]methyl]triazol-4-amine?
2-[[2-(2-methyl-1,3-dioxol-2-yl)-1,3-thiazol-5-yl]methyl]triazol-4-amine has a molecular weight of 265.30 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methyl-1,3-dioxol-2-yl)-1,3-thiazol-5-yl]methyl]triazol-4-amine is sourced from PubChem (CID 141238253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).