(2S)-1-(diethylamino)-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

C23H30N6OS — CID 67256957

IUPAC(2S)-1-(diethylamino)-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
SMILESCCN(CC)C[C@H](O)Cn1cc(-c2cccs2)nc1CCc1nc2cccc(C)n2n1
InChIInChI=1S/C23H30N6OS/c1-4-27(5-2)14-18(30)15-28-16-19(20-9-7-13-31-20)24-22(28)12-11-21-25-23-10-6-8-17(3)29(23)26-21/h6-10,13,16,18,30H,4-5,11-12,14-15H2,1-3H3/t18-/m0/s1
InChIKeyPTKCRJBIDOWBDX-SFHVURJKSA-N
MW438.60 g/mol
LogP3.45
Rot. Bonds10

About (2S)-1-(diethylamino)-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-(diethylamino)-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 67256957) has the molecular formula C23H30N6OS and a molecular weight of 438.60 g/mol. Its IUPAC name is (2S)-1-(diethylamino)-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-(diethylamino)-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 CID67256957
Molecular FormulaC23H30N6OS
Molecular Weight438.60 g/mol
Exact Mass438.22
IUPAC Name(2S)-1-(diethylamino)-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
SMILESCCN(CC)C[C@H](O)Cn1cc(-c2cccs2)nc1CCc1nc2cccc(C)n2n1
InChIInChI=1S/C23H30N6OS/c1-4-27(5-2)14-18(30)15-28-16-19(20-9-7-13-31-20)24-22(28)12-11-21-25-23-10-6-8-17(3)29(23)26-21/h6-10,13,16,18,30H,4-5,11-12,14-15H2,1-3H3/t18-/m0/s1
InChIKeyPTKCRJBIDOWBDX-SFHVURJKSA-N
XLogP3.45
TPSA71.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2S)-1-(diethylamino)-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(diethylamino)-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-(diethylamino)-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 67256957) is (2S)-1-(diethylamino)-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-(diethylamino)-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-(diethylamino)-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 CCN(CC)C[C@H](O)Cn1cc(-c2cccs2)nc1CCc1nc2cccc(C)n2n1.
What is the InChIKey of (2S)-1-(diethylamino)-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 PTKCRJBIDOWBDX-SFHVURJKSA-N. The full InChI is InChI=1S/C23H30N6OS/c1-4-27(5-2)14-18(30)15-28-16-19(20-9-7-13-31-20)24-22(28)12-11-21-25-23-10-6-8-17(3)29(23)26-21/h6-10,13,16,18,30H,4-5,11-12,14-15H2,1-3H3/t18-/m0/s1.
What are the key properties of (2S)-1-(diethylamino)-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-(diethylamino)-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 438.60 g/mol, XLogP of 3.45, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(diethylamino)-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 67256957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).