3-amino-2-(3-bromophenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol

C15H14BrNOS2 — CID 80738778

IUPAC3-amino-2-(3-bromophenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol
SMILESNCC(c1cccc(Br)c1)C(O)c1cc2sccc2s1
InChIInChI=1S/C15H14BrNOS2/c16-10-3-1-2-9(6-10)11(8-17)15(18)14-7-13-12(20-14)4-5-19-13/h1-7,11,15,18H,8,17H2
InChIKeyPDAUQARXALYMBV-UHFFFAOYSA-N
MW368.32 g/mol
LogP4.50
Rot. Bonds4

About 3-amino-2-(3-bromophenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol

3-amino-2-(3-bromophenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol (PubChem CID 80738778) has the molecular formula C15H14BrNOS2 and a molecular weight of 368.32 g/mol. Its IUPAC name is 3-amino-2-(3-bromophenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-bromophenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol
PubChem CID80738778
Molecular FormulaC15H14BrNOS2
Molecular Weight368.32 g/mol
Exact Mass366.97
IUPAC Name3-amino-2-(3-bromophenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol
SMILESNCC(c1cccc(Br)c1)C(O)c1cc2sccc2s1
InChIInChI=1S/C15H14BrNOS2/c16-10-3-1-2-9(6-10)11(8-17)15(18)14-7-13-12(20-14)4-5-19-13/h1-7,11,15,18H,8,17H2
InChIKeyPDAUQARXALYMBV-UHFFFAOYSA-N
XLogP4.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-bromophenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol?
The IUPAC name of 3-amino-2-(3-bromophenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol (CID 80738778) is 3-amino-2-(3-bromophenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol.
What is the SMILES notation for 3-amino-2-(3-bromophenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol?
The canonical SMILES for 3-amino-2-(3-bromophenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol is NCC(c1cccc(Br)c1)C(O)c1cc2sccc2s1.
What is the InChIKey of 3-amino-2-(3-bromophenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol?
The InChIKey is PDAUQARXALYMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNOS2/c16-10-3-1-2-9(6-10)11(8-17)15(18)14-7-13-12(20-14)4-5-19-13/h1-7,11,15,18H,8,17H2.
What are the key properties of 3-amino-2-(3-bromophenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol?
3-amino-2-(3-bromophenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol has a molecular weight of 368.32 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-bromophenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol is sourced from PubChem (CID 80738778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).