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

C10H13N5O2S — CID 67365122

IUPAC2-[[4-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methyl]triazol-4-amine
SMILESCC1(c2csc(Cn3ncc(N)n3)n2)OCCO1
InChIInChI=1S/C10H13N5O2S/c1-10(16-2-3-17-10)7-6-18-9(13-7)5-15-12-4-8(11)14-15/h4,6H,2-3,5H2,1H3,(H2,11,14)
InChIKeyXZSAOZRXMOJGCR-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.58
Rot. Bonds3

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

2-[[4-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methyl]triazol-4-amine (PubChem CID 67365122) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-[[4-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methyl]triazol-4-amine.

Molecular Properties

Compound Name2-[[4-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methyl]triazol-4-amine
PubChem CID67365122
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name2-[[4-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methyl]triazol-4-amine
SMILESCC1(c2csc(Cn3ncc(N)n3)n2)OCCO1
InChIInChI=1S/C10H13N5O2S/c1-10(16-2-3-17-10)7-6-18-9(13-7)5-15-12-4-8(11)14-15/h4,6H,2-3,5H2,1H3,(H2,11,14)
InChIKeyXZSAOZRXMOJGCR-UHFFFAOYSA-N
XLogP0.58
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methyl]triazol-4-amine?
The IUPAC name of 2-[[4-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methyl]triazol-4-amine (CID 67365122) is 2-[[4-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methyl]triazol-4-amine.
What is the SMILES notation for 2-[[4-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methyl]triazol-4-amine?
The canonical SMILES for 2-[[4-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methyl]triazol-4-amine is CC1(c2csc(Cn3ncc(N)n3)n2)OCCO1.
What is the InChIKey of 2-[[4-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methyl]triazol-4-amine?
The InChIKey is XZSAOZRXMOJGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-10(16-2-3-17-10)7-6-18-9(13-7)5-15-12-4-8(11)14-15/h4,6H,2-3,5H2,1H3,(H2,11,14).
What are the key properties of 2-[[4-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methyl]triazol-4-amine?
2-[[4-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methyl]triazol-4-amine has a molecular weight of 267.31 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methyl-1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methyl]triazol-4-amine is sourced from PubChem (CID 67365122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).