propane-1,2,3-triol;thieno[3,2-c]pyridine

C10H13NO3S — CID 158137145

IUPACpropane-1,2,3-triol;thieno[3,2-c]pyridine
SMILESOCC(O)CO.c1cc2sccc2cn1
InChIInChI=1S/C7H5NS.C3H8O3/c1-3-8-5-6-2-4-9-7(1)6;4-1-3(6)2-5/h1-5H;3-6H,1-2H2
InChIKeyFTMCKZRZXQHKLU-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.63
Rot. Bonds2

About propane-1,2,3-triol;thieno[3,2-c]pyridine

propane-1,2,3-triol;thieno[3,2-c]pyridine (PubChem CID 158137145) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is propane-1,2,3-triol;thieno[3,2-c]pyridine.

Molecular Properties

Compound Namepropane-1,2,3-triol;thieno[3,2-c]pyridine
PubChem CID158137145
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Namepropane-1,2,3-triol;thieno[3,2-c]pyridine
SMILESOCC(O)CO.c1cc2sccc2cn1
InChIInChI=1S/C7H5NS.C3H8O3/c1-3-8-5-6-2-4-9-7(1)6;4-1-3(6)2-5/h1-5H;3-6H,1-2H2
InChIKeyFTMCKZRZXQHKLU-UHFFFAOYSA-N
XLogP0.63
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethylpropane;thieno[3,2-c]pyridine
CID 158078423
thieno[2,3-h]isoquinoline
CID 15192975
[1,3]thiazolo[5,4-c]pyridin-2-ylmethanol
CID 83383627
thieno[2,3-d]pyridazine
CID 12603003
1-benzothiophene;thieno[2,3-b]pyridine;thieno[2,3-c]pyridazine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[2,3-d]pyridazine
CID 159097434
1-(1-benzothiophen-6-yl)propane-1,2,3-triol
CID 170817998
1-thieno[3,2-c]pyridin-2-ylethanol
CID 67304944
thieno[2,3-d]pyridazine;dihydrochloride
CID 53487086
2-thieno[2,3-d]pyrimidin-2-ylethanol
CID 137400060
1-(3-methyl-4-pyridinyl)propane-1,2,3-triol
CID 170817371
1-(1-benzothiophen-7-yl)-2-pyridin-3-ylethanol
CID 81154090
2-[5-(1-benzothiophen-5-yl)hexa-1,5-dien-2-yl]pyrimidine
CID 139563355

Frequently Asked Questions

What is the IUPAC name of propane-1,2,3-triol;thieno[3,2-c]pyridine?
The IUPAC name of propane-1,2,3-triol;thieno[3,2-c]pyridine (CID 158137145) is propane-1,2,3-triol;thieno[3,2-c]pyridine.
What is the SMILES notation for propane-1,2,3-triol;thieno[3,2-c]pyridine?
The canonical SMILES for propane-1,2,3-triol;thieno[3,2-c]pyridine is OCC(O)CO.c1cc2sccc2cn1.
What is the InChIKey of propane-1,2,3-triol;thieno[3,2-c]pyridine?
The InChIKey is FTMCKZRZXQHKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NS.C3H8O3/c1-3-8-5-6-2-4-9-7(1)6;4-1-3(6)2-5/h1-5H;3-6H,1-2H2.
What are the key properties of propane-1,2,3-triol;thieno[3,2-c]pyridine?
propane-1,2,3-triol;thieno[3,2-c]pyridine has a molecular weight of 227.28 g/mol, XLogP of 0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,2,3-triol;thieno[3,2-c]pyridine is sourced from PubChem (CID 158137145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).