2-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol

C12H13BrN2OS — CID 103858145

IUPAC2-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
SMILESCc1cc(NCC(O)c2ccsc2)ncc1Br
InChIInChI=1S/C12H13BrN2OS/c1-8-4-12(14-5-10(8)13)15-6-11(16)9-2-3-17-7-9/h2-5,7,11,16H,6H2,1H3,(H,14,15)
InChIKeyRJLQXJKDWPZDSV-UHFFFAOYSA-N
MW313.22 g/mol
LogP3.36
Rot. Bonds4

About 2-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol

2-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol (PubChem CID 103858145) has the molecular formula C12H13BrN2OS and a molecular weight of 313.22 g/mol. Its IUPAC name is 2-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
PubChem CID103858145
Molecular FormulaC12H13BrN2OS
Molecular Weight313.22 g/mol
Exact Mass311.99
IUPAC Name2-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
SMILESCc1cc(NCC(O)c2ccsc2)ncc1Br
InChIInChI=1S/C12H13BrN2OS/c1-8-4-12(14-5-10(8)13)15-6-11(16)9-2-3-17-7-9/h2-5,7,11,16H,6H2,1H3,(H,14,15)
InChIKeyRJLQXJKDWPZDSV-UHFFFAOYSA-N
XLogP3.36
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 114188611
2-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 113412276
2-[(5-chloro-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 103705029
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188665
2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188663
1-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-2-ol
CID 114869387
2-[[6-(3-chloro-4-methylphenyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 143851562
2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436448
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-4-carboxylic acid
CID 106435556
2-[(3-amino-5-bromo-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 106434570
2-[(5-amino-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 114188456
2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol
CID 106436357

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol (CID 103858145) is 2-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol is Cc1cc(NCC(O)c2ccsc2)ncc1Br.
What is the InChIKey of 2-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol?
The InChIKey is RJLQXJKDWPZDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2OS/c1-8-4-12(14-5-10(8)13)15-6-11(16)9-2-3-17-7-9/h2-5,7,11,16H,6H2,1H3,(H,14,15).
What are the key properties of 2-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol?
2-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol has a molecular weight of 313.22 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 103858145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).