3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylpropan-1-ol

C20H18N2O2S3 — CID 118050952

IUPAC3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylpropan-1-ol
SMILESNc1c(S(=O)CCCO)sc2nc(-c3cccs3)cc(-c3ccccc3)c12
InChIInChI=1S/C20H18N2O2S3/c21-18-17-14(13-6-2-1-3-7-13)12-15(16-8-4-10-25-16)22-19(17)26-20(18)27(24)11-5-9-23/h1-4,6-8,10,12,23H,5,9,11,21H2
InChIKeyJPNJHZVSNGCECQ-UHFFFAOYSA-N
MW414.58 g/mol
LogP4.76
Rot. Bonds6

About 3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylpropan-1-ol

3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylpropan-1-ol (PubChem CID 118050952) has the molecular formula C20H18N2O2S3 and a molecular weight of 414.58 g/mol. Its IUPAC name is 3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylpropan-1-ol.

Molecular Properties

Compound Name3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylpropan-1-ol
PubChem CID118050952
Molecular FormulaC20H18N2O2S3
Molecular Weight414.58 g/mol
Exact Mass414.05
IUPAC Name3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylpropan-1-ol
SMILESNc1c(S(=O)CCCO)sc2nc(-c3cccs3)cc(-c3ccccc3)c12
InChIInChI=1S/C20H18N2O2S3/c21-18-17-14(13-6-2-1-3-7-13)12-15(16-8-4-10-25-16)22-19(17)26-20(18)27(24)11-5-9-23/h1-4,6-8,10,12,23H,5,9,11,21H2
InChIKeyJPNJHZVSNGCECQ-UHFFFAOYSA-N
XLogP4.76
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylpropan-1-ol?
The IUPAC name of 3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylpropan-1-ol (CID 118050952) is 3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylpropan-1-ol.
What is the SMILES notation for 3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylpropan-1-ol?
The canonical SMILES for 3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylpropan-1-ol is Nc1c(S(=O)CCCO)sc2nc(-c3cccs3)cc(-c3ccccc3)c12.
What is the InChIKey of 3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylpropan-1-ol?
The InChIKey is JPNJHZVSNGCECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S3/c21-18-17-14(13-6-2-1-3-7-13)12-15(16-8-4-10-25-16)22-19(17)26-20(18)27(24)11-5-9-23/h1-4,6-8,10,12,23H,5,9,11,21H2.
What are the key properties of 3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylpropan-1-ol?
3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylpropan-1-ol has a molecular weight of 414.58 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylpropan-1-ol is sourced from PubChem (CID 118050952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).