(2S)-1-(oxan-4-yloxy)-3-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)propan-2-ol

C19H27N3O3S — CID 171359905

IUPAC(2S)-1-(oxan-4-yloxy)-3-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)propan-2-ol
SMILESO[C@H](COC1CCOCC1)CN1CCN(c2nccc3sccc23)CC1
InChIInChI=1S/C19H27N3O3S/c23-15(14-25-16-2-10-24-11-3-16)13-21-6-8-22(9-7-21)19-17-4-12-26-18(17)1-5-20-19/h1,4-5,12,15-16,23H,2-3,6-11,13-14H2/t15-/m0/s1
InChIKeyCUVDQWVEISUASM-HNNXBMFYSA-N
MW377.51 g/mol
LogP1.97
Rot. Bonds6

About (2S)-1-(oxan-4-yloxy)-3-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)propan-2-ol

(2S)-1-(oxan-4-yloxy)-3-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)propan-2-ol (PubChem CID 171359905) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is (2S)-1-(oxan-4-yloxy)-3-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(oxan-4-yloxy)-3-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)propan-2-ol
PubChem CID171359905
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name(2S)-1-(oxan-4-yloxy)-3-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)propan-2-ol
SMILESO[C@H](COC1CCOCC1)CN1CCN(c2nccc3sccc23)CC1
InChIInChI=1S/C19H27N3O3S/c23-15(14-25-16-2-10-24-11-3-16)13-21-6-8-22(9-7-21)19-17-4-12-26-18(17)1-5-20-19/h1,4-5,12,15-16,23H,2-3,6-11,13-14H2/t15-/m0/s1
InChIKeyCUVDQWVEISUASM-HNNXBMFYSA-N
XLogP1.97
TPSA58.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-1-(oxan-4-yloxy)-3-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)propan-2-ol with MolForge

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Related Compounds

4-[6-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 155976528
4-[4-(8-methylnonyl)piperazin-1-yl]thieno[3,2-c]pyridine
CID 174256279
4-[4-(bromomethyl)piperidin-1-yl]thieno[3,2-c]pyridine
CID 80669496
4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexan-1-amine;trihydrochloride
CID 67125798
1-thieno[3,2-c]pyridin-4-ylpyrrolidine-3,4-diol
CID 106673226
1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
CID 155980991
(4-thieno[3,2-c]pyridin-4-ylmorpholin-2-yl)methanamine
CID 61338182
N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]propan-2-amine
CID 62588134
1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carbaldehyde
CID 55101087
1-cyclopentyloxy-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 16958185
(2S)-1-cyclopentyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 42588067
4-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]thieno[3,2-c]pyridine
CID 171702458

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(oxan-4-yloxy)-3-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-(oxan-4-yloxy)-3-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)propan-2-ol (CID 171359905) is (2S)-1-(oxan-4-yloxy)-3-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-(oxan-4-yloxy)-3-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-(oxan-4-yloxy)-3-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)propan-2-ol is O[C@H](COC1CCOCC1)CN1CCN(c2nccc3sccc23)CC1.
What is the InChIKey of (2S)-1-(oxan-4-yloxy)-3-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)propan-2-ol?
The InChIKey is CUVDQWVEISUASM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c23-15(14-25-16-2-10-24-11-3-16)13-21-6-8-22(9-7-21)19-17-4-12-26-18(17)1-5-20-19/h1,4-5,12,15-16,23H,2-3,6-11,13-14H2/t15-/m0/s1.
What are the key properties of (2S)-1-(oxan-4-yloxy)-3-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)propan-2-ol?
(2S)-1-(oxan-4-yloxy)-3-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)propan-2-ol has a molecular weight of 377.51 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(oxan-4-yloxy)-3-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 171359905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).