1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol

C14H15N3O2S2 — CID 51073493

IUPAC1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol
SMILESOC(COCc1cccs1)CSc1nnc2ccccn12
InChIInChI=1S/C14H15N3O2S2/c18-11(8-19-9-12-4-3-7-20-12)10-21-14-16-15-13-5-1-2-6-17(13)14/h1-7,11,18H,8-10H2
InChIKeyRTZYWTHRHZWTHU-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.46
Rot. Bonds7

About 1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol

1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol (PubChem CID 51073493) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol
PubChem CID51073493
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC Name1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol
SMILESOC(COCc1cccs1)CSc1nnc2ccccn12
InChIInChI=1S/C14H15N3O2S2/c18-11(8-19-9-12-4-3-7-20-12)10-21-14-16-15-13-5-1-2-6-17(13)14/h1-7,11,18H,8-10H2
InChIKeyRTZYWTHRHZWTHU-UHFFFAOYSA-N
XLogP2.46
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol?
The IUPAC name of 1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol (CID 51073493) is 1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol?
The canonical SMILES for 1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol is OC(COCc1cccs1)CSc1nnc2ccccn12.
What is the InChIKey of 1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol?
The InChIKey is RTZYWTHRHZWTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c18-11(8-19-9-12-4-3-7-20-12)10-21-14-16-15-13-5-1-2-6-17(13)14/h1-7,11,18H,8-10H2.
What are the key properties of 1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol?
1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol has a molecular weight of 321.43 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol is sourced from PubChem (CID 51073493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).