2-[(3-amino-5-bromo-2-pyridinyl)amino]-1-thiophen-3-ylethanol

C11H12BrN3OS — CID 106434570

IUPAC2-[(3-amino-5-bromo-2-pyridinyl)amino]-1-thiophen-3-ylethanol
SMILESNc1cc(Br)cnc1NCC(O)c1ccsc1
InChIInChI=1S/C11H12BrN3OS/c12-8-3-9(13)11(14-4-8)15-5-10(16)7-1-2-17-6-7/h1-4,6,10,16H,5,13H2,(H,14,15)
InChIKeyAFZBUPTVZVLTMY-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.63
Rot. Bonds4

About 2-[(3-amino-5-bromo-2-pyridinyl)amino]-1-thiophen-3-ylethanol

2-[(3-amino-5-bromo-2-pyridinyl)amino]-1-thiophen-3-ylethanol (PubChem CID 106434570) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is 2-[(3-amino-5-bromo-2-pyridinyl)amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(3-amino-5-bromo-2-pyridinyl)amino]-1-thiophen-3-ylethanol
PubChem CID106434570
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC Name2-[(3-amino-5-bromo-2-pyridinyl)amino]-1-thiophen-3-ylethanol
SMILESNc1cc(Br)cnc1NCC(O)c1ccsc1
InChIInChI=1S/C11H12BrN3OS/c12-8-3-9(13)11(14-4-8)15-5-10(16)7-1-2-17-6-7/h1-4,6,10,16H,5,13H2,(H,14,15)
InChIKeyAFZBUPTVZVLTMY-UHFFFAOYSA-N
XLogP2.63
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 114188611
2-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 103858145
5-fluoro-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-3-carboxylic acid
CID 106435593
2-[(5-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 102975891
2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 106436527
2-[(5-amino-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 114188456
2-[(4-amino-1,3-benzoxazol-2-yl)amino]-1-thiophen-3-ylethanol
CID 106434509
4-[(3-amino-5-bromo-2-pyridinyl)amino]butan-2-ol
CID 64926877
2-[(5-chloro-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 103705029
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 106436324
2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188670
2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436412

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-5-bromo-2-pyridinyl)amino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(3-amino-5-bromo-2-pyridinyl)amino]-1-thiophen-3-ylethanol (CID 106434570) is 2-[(3-amino-5-bromo-2-pyridinyl)amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(3-amino-5-bromo-2-pyridinyl)amino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(3-amino-5-bromo-2-pyridinyl)amino]-1-thiophen-3-ylethanol is Nc1cc(Br)cnc1NCC(O)c1ccsc1.
What is the InChIKey of 2-[(3-amino-5-bromo-2-pyridinyl)amino]-1-thiophen-3-ylethanol?
The InChIKey is AFZBUPTVZVLTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3OS/c12-8-3-9(13)11(14-4-8)15-5-10(16)7-1-2-17-6-7/h1-4,6,10,16H,5,13H2,(H,14,15).
What are the key properties of 2-[(3-amino-5-bromo-2-pyridinyl)amino]-1-thiophen-3-ylethanol?
2-[(3-amino-5-bromo-2-pyridinyl)amino]-1-thiophen-3-ylethanol has a molecular weight of 314.21 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-5-bromo-2-pyridinyl)amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 106434570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).