(2S)-1-(methylamino)-3-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol

C20H24N6OS — CID 67256956

IUPAC(2S)-1-(methylamino)-3-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol
SMILESCNC[C@H](O)Cn1cc(-c2cccs2)nc1CCc1nc2cccc(C)n2n1
InChIInChI=1S/C20H24N6OS/c1-14-5-3-7-20-23-18(24-26(14)20)8-9-19-22-16(17-6-4-10-28-17)13-25(19)12-15(27)11-21-2/h3-7,10,13,15,21,27H,8-9,11-12H2,1-2H3/t15-/m0/s1
InChIKeyLMOLRTCOCOFMML-HNNXBMFYSA-N
MW396.52 g/mol
LogP2.33
Rot. Bonds8

About (2S)-1-(methylamino)-3-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol

(2S)-1-(methylamino)-3-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol (PubChem CID 67256956) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is (2S)-1-(methylamino)-3-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(methylamino)-3-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol
PubChem CID67256956
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC Name(2S)-1-(methylamino)-3-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol
SMILESCNC[C@H](O)Cn1cc(-c2cccs2)nc1CCc1nc2cccc(C)n2n1
InChIInChI=1S/C20H24N6OS/c1-14-5-3-7-20-23-18(24-26(14)20)8-9-19-22-16(17-6-4-10-28-17)13-25(19)12-15(27)11-21-2/h3-7,10,13,15,21,27H,8-9,11-12H2,1-2H3/t15-/m0/s1
InChIKeyLMOLRTCOCOFMML-HNNXBMFYSA-N
XLogP2.33
TPSA80.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2S)-1-(methylamino)-3-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(methylamino)-3-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-(methylamino)-3-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol (CID 67256956) is (2S)-1-(methylamino)-3-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-(methylamino)-3-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-(methylamino)-3-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol is CNC[C@H](O)Cn1cc(-c2cccs2)nc1CCc1nc2cccc(C)n2n1.
What is the InChIKey of (2S)-1-(methylamino)-3-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol?
The InChIKey is LMOLRTCOCOFMML-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-14-5-3-7-20-23-18(24-26(14)20)8-9-19-22-16(17-6-4-10-28-17)13-25(19)12-15(27)11-21-2/h3-7,10,13,15,21,27H,8-9,11-12H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-1-(methylamino)-3-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol?
(2S)-1-(methylamino)-3-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol has a molecular weight of 396.52 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(methylamino)-3-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol is sourced from PubChem (CID 67256956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).