1-(4,5-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride

C9H14Br2ClNOS — CID 3044790

IUPAC1-(4,5-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride
SMILESCC(C)NCC(O)c1cc(Br)c(Br)s1.Cl
InChIInChI=1S/C9H13Br2NOS.ClH/c1-5(2)12-4-7(13)8-3-6(10)9(11)14-8;/h3,5,7,12-13H,4H2,1-2H3;1H
InChIKeyNWLGJJXGJJXWQW-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.73
Rot. Bonds4

About 1-(4,5-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride

1-(4,5-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride (PubChem CID 3044790) has the molecular formula C9H14Br2ClNOS and a molecular weight of 379.55 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride
PubChem CID3044790
Molecular FormulaC9H14Br2ClNOS
Molecular Weight379.55 g/mol
Exact Mass376.89
IUPAC Name1-(4,5-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride
SMILESCC(C)NCC(O)c1cc(Br)c(Br)s1.Cl
InChIInChI=1S/C9H13Br2NOS.ClH/c1-5(2)12-4-7(13)8-3-6(10)9(11)14-8;/h3,5,7,12-13H,4H2,1-2H3;1H
InChIKeyNWLGJJXGJJXWQW-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4,5-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride (CID 3044790) is 1-(4,5-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride is CC(C)NCC(O)c1cc(Br)c(Br)s1.Cl.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride?
The InChIKey is NWLGJJXGJJXWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Br2NOS.ClH/c1-5(2)12-4-7(13)8-3-6(10)9(11)14-8;/h3,5,7,12-13H,4H2,1-2H3;1H.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride?
1-(4,5-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride has a molecular weight of 379.55 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol;hydrochloride is sourced from PubChem (CID 3044790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).