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

C14H15N3O2S2 — CID 94813173

IUPAC(2S)-1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol
SMILESO[C@@H](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/t11-/m0/s1
InChIKeyRTZYWTHRHZWTHU-NSHDSACASA-N
MW321.43 g/mol
LogP2.46
Rot. Bonds7

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

(2S)-1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol (PubChem CID 94813173) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is (2S)-1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol
PubChem CID94813173
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC Name(2S)-1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol
SMILESO[C@@H](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/t11-/m0/s1
InChIKeyRTZYWTHRHZWTHU-NSHDSACASA-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

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

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Launch Full Analysis

Related Compounds

1-Phenylmethoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol
CID 47010245
1-(Thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol
CID 51073493
2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide
CID 71969624
(2R)-1-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 8306742
(2S)-1-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 8306748
(2S)-1-phenoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol
CID 39972669
(2R)-1-phenoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol
CID 39972671
1-Phenoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol
CID 42896198
1-Propan-2-yloxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol
CID 60670744
3-[5-([1,2,4]Triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)thiophen-3-yl]prop-2-yn-1-ol
CID 62850006
4-[5-([1,2,4]Triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)thiophen-3-yl]but-3-yn-1-ol
CID 62850007
3-[5-([1,2,4]Triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)thiophen-2-yl]prop-2-yn-1-ol
CID 62850008

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol?
The IUPAC name of (2S)-1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol (CID 94813173) is (2S)-1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol.
What is the SMILES notation for (2S)-1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol?
The canonical SMILES for (2S)-1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol is O[C@@H](COCc1cccs1)CSc1nnc2ccccn12.
What is the InChIKey of (2S)-1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol?
The InChIKey is RTZYWTHRHZWTHU-NSHDSACASA-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/t11-/m0/s1.
What are the key properties of (2S)-1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol?
(2S)-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 (2S)-1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol is sourced from PubChem (CID 94813173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).