4-methylthieno[2,3-a]indolizin-5-ium-4-ol

C11H10NOS+ — CID 166448916

IUPAC4-methylthieno[2,3-a]indolizin-5-ium-4-ol
SMILESCC1(O)c2ccsc2-c2cccc[n+]21
InChIInChI=1S/C11H10NOS/c1-11(13)8-5-7-14-10(8)9-4-2-3-6-12(9)11/h2-7,13H,1H3/q+1
InChIKeyLSOQNYNBQVOLIX-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.73
Rot. Bonds

About 4-methylthieno[2,3-a]indolizin-5-ium-4-ol

4-methylthieno[2,3-a]indolizin-5-ium-4-ol (PubChem CID 166448916) has the molecular formula C11H10NOS+ and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-methylthieno[2,3-a]indolizin-5-ium-4-ol.

Molecular Properties

Compound Name4-methylthieno[2,3-a]indolizin-5-ium-4-ol
PubChem CID166448916
Molecular FormulaC11H10NOS+
Molecular Weight204.27 g/mol
Exact Mass204.05
IUPAC Name4-methylthieno[2,3-a]indolizin-5-ium-4-ol
SMILESCC1(O)c2ccsc2-c2cccc[n+]21
InChIInChI=1S/C11H10NOS/c1-11(13)8-5-7-14-10(8)9-4-2-3-6-12(9)11/h2-7,13H,1H3/q+1
InChIKeyLSOQNYNBQVOLIX-UHFFFAOYSA-N
XLogP1.73
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-Thiophenemethanol, 5-(3-pyridinyl)-
CID 11816351
1-(Pyridin-3-yl)-2-(thiophen-2-yl)propan-2-ol
CID 238325
(Z)-2-[6-(2-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol
CID 137295747
(Z)-2-[6-(3-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol
CID 137295750
(Z)-2-[6-(4-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol
CID 137295752
2-Pyridyl[1-(3-thienylmethyl)-4-piperidyl]methanol
CID 53193318
{1-[(3-Methyl-2-thienyl)methyl]-4-piperidyl}(2-pyridyl)methanol
CID 53193327
(6-Thien-2-ylpyrid-3-yl)methanol
CID 15411145
(S)-[1-[(1-methylindol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 99946416
2-[1-(2-Pyridin-4-ylethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol
CID 111858441
(S)-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 164637858
{3-Methyl-5-[5-(trifluoromethyl)pyridin-2-yl]thien-2-yl}methanol
CID 21986475

Frequently Asked Questions

What is the IUPAC name of 4-methylthieno[2,3-a]indolizin-5-ium-4-ol?
The IUPAC name of 4-methylthieno[2,3-a]indolizin-5-ium-4-ol (CID 166448916) is 4-methylthieno[2,3-a]indolizin-5-ium-4-ol.
What is the SMILES notation for 4-methylthieno[2,3-a]indolizin-5-ium-4-ol?
The canonical SMILES for 4-methylthieno[2,3-a]indolizin-5-ium-4-ol is CC1(O)c2ccsc2-c2cccc[n+]21.
What is the InChIKey of 4-methylthieno[2,3-a]indolizin-5-ium-4-ol?
The InChIKey is LSOQNYNBQVOLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10NOS/c1-11(13)8-5-7-14-10(8)9-4-2-3-6-12(9)11/h2-7,13H,1H3/q+1.
What are the key properties of 4-methylthieno[2,3-a]indolizin-5-ium-4-ol?
4-methylthieno[2,3-a]indolizin-5-ium-4-ol has a molecular weight of 204.27 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylthieno[2,3-a]indolizin-5-ium-4-ol is sourced from PubChem (CID 166448916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).