2-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)-1,3-thiazole

C14H12N6OS — CID 154747726

IUPAC2-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)-1,3-thiazole
SMILESCn1cc(-c2nc(COc3nnc4ccccn34)cs2)cn1
InChIInChI=1S/C14H12N6OS/c1-19-7-10(6-15-19)13-16-11(9-22-13)8-21-14-18-17-12-4-2-3-5-20(12)14/h2-7,9H,8H2,1H3
InChIKeyLFWWMXBGWGENRJ-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.17
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)-1,3-thiazole

2-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)-1,3-thiazole (PubChem CID 154747726) has the molecular formula C14H12N6OS and a molecular weight of 312.36 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)-1,3-thiazole
PubChem CID154747726
Molecular FormulaC14H12N6OS
Molecular Weight312.36 g/mol
Exact Mass312.08
IUPAC Name2-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)-1,3-thiazole
SMILESCn1cc(-c2nc(COc3nnc4ccccn34)cs2)cn1
InChIInChI=1S/C14H12N6OS/c1-19-7-10(6-15-19)13-16-11(9-22-13)8-21-14-18-17-12-4-2-3-5-20(12)14/h2-7,9H,8H2,1H3
InChIKeyLFWWMXBGWGENRJ-UHFFFAOYSA-N
XLogP2.17
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)-1,3-thiazole?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)-1,3-thiazole (CID 154747726) is 2-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)-1,3-thiazole?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)-1,3-thiazole is Cn1cc(-c2nc(COc3nnc4ccccn34)cs2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)-1,3-thiazole?
The InChIKey is LFWWMXBGWGENRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6OS/c1-19-7-10(6-15-19)13-16-11(9-22-13)8-21-14-18-17-12-4-2-3-5-20(12)14/h2-7,9H,8H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)-1,3-thiazole?
2-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)-1,3-thiazole has a molecular weight of 312.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)-1,3-thiazole is sourced from PubChem (CID 154747726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).