(2S)-2-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol

C19H21N5OS — CID 67256569

IUPAC(2S)-2-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol
SMILESCc1cccc2nc(CCc3nc(-c4cccs4)cn3[C@@H](C)CO)nn12
InChIInChI=1S/C19H21N5OS/c1-13-5-3-7-19-21-17(22-24(13)19)8-9-18-20-15(16-6-4-10-26-16)11-23(18)14(2)12-25/h3-7,10-11,14,25H,8-9,12H2,1-2H3/t14-/m0/s1
InChIKeyOLDIOLRFUNEQQG-AWEZNQCLSA-N
MW367.48 g/mol
LogP3.30
Rot. Bonds6

About (2S)-2-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol

(2S)-2-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol (PubChem CID 67256569) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is (2S)-2-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol
PubChem CID67256569
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name(2S)-2-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol
SMILESCc1cccc2nc(CCc3nc(-c4cccs4)cn3[C@@H](C)CO)nn12
InChIInChI=1S/C19H21N5OS/c1-13-5-3-7-19-21-17(22-24(13)19)8-9-18-20-15(16-6-4-10-26-16)11-23(18)14(2)12-25/h3-7,10-11,14,25H,8-9,12H2,1-2H3/t14-/m0/s1
InChIKeyOLDIOLRFUNEQQG-AWEZNQCLSA-N
XLogP3.30
TPSA68.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol?
The IUPAC name of (2S)-2-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol (CID 67256569) is (2S)-2-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol.
What is the SMILES notation for (2S)-2-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol?
The canonical SMILES for (2S)-2-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol is Cc1cccc2nc(CCc3nc(-c4cccs4)cn3[C@@H](C)CO)nn12.
What is the InChIKey of (2S)-2-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol?
The InChIKey is OLDIOLRFUNEQQG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-13-5-3-7-19-21-17(22-24(13)19)8-9-18-20-15(16-6-4-10-26-16)11-23(18)14(2)12-25/h3-7,10-11,14,25H,8-9,12H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-2-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol?
(2S)-2-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol has a molecular weight of 367.48 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 67256569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).