3-amino-N-(4-bromothiophen-2-yl)-2-hydroxypropanamide

C7H9BrN2O2S — CID 115180285

IUPAC3-amino-N-(4-bromothiophen-2-yl)-2-hydroxypropanamide
SMILESNCC(O)C(=O)Nc1cc(Br)cs1
InChIInChI=1S/C7H9BrN2O2S/c8-4-1-6(13-3-4)10-7(12)5(11)2-9/h1,3,5,11H,2,9H2,(H,10,12)
InChIKeyBEWOOALSUCUXST-UHFFFAOYSA-N
MW265.13 g/mol
LogP0.77
Rot. Bonds3

About 3-amino-N-(4-bromothiophen-2-yl)-2-hydroxypropanamide

3-amino-N-(4-bromothiophen-2-yl)-2-hydroxypropanamide (PubChem CID 115180285) has the molecular formula C7H9BrN2O2S and a molecular weight of 265.13 g/mol. Its IUPAC name is 3-amino-N-(4-bromothiophen-2-yl)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-amino-N-(4-bromothiophen-2-yl)-2-hydroxypropanamide
PubChem CID115180285
Molecular FormulaC7H9BrN2O2S
Molecular Weight265.13 g/mol
Exact Mass263.96
IUPAC Name3-amino-N-(4-bromothiophen-2-yl)-2-hydroxypropanamide
SMILESNCC(O)C(=O)Nc1cc(Br)cs1
InChIInChI=1S/C7H9BrN2O2S/c8-4-1-6(13-3-4)10-7(12)5(11)2-9/h1,3,5,11H,2,9H2,(H,10,12)
InChIKeyBEWOOALSUCUXST-UHFFFAOYSA-N
XLogP0.77
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.13
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromothiophen-2-yl)-2-hydroxypropanamide?
The IUPAC name of 3-amino-N-(4-bromothiophen-2-yl)-2-hydroxypropanamide (CID 115180285) is 3-amino-N-(4-bromothiophen-2-yl)-2-hydroxypropanamide.
What is the SMILES notation for 3-amino-N-(4-bromothiophen-2-yl)-2-hydroxypropanamide?
The canonical SMILES for 3-amino-N-(4-bromothiophen-2-yl)-2-hydroxypropanamide is NCC(O)C(=O)Nc1cc(Br)cs1.
What is the InChIKey of 3-amino-N-(4-bromothiophen-2-yl)-2-hydroxypropanamide?
The InChIKey is BEWOOALSUCUXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2S/c8-4-1-6(13-3-4)10-7(12)5(11)2-9/h1,3,5,11H,2,9H2,(H,10,12).
What are the key properties of 3-amino-N-(4-bromothiophen-2-yl)-2-hydroxypropanamide?
3-amino-N-(4-bromothiophen-2-yl)-2-hydroxypropanamide has a molecular weight of 265.13 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromothiophen-2-yl)-2-hydroxypropanamide is sourced from PubChem (CID 115180285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).