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

C12H14N2O2S — CID 106435613

IUPAC2-[(3-methoxy-2-pyridinyl)amino]-1-thiophen-3-ylethanol
SMILESCOc1cccnc1NCC(O)c1ccsc1
InChIInChI=1S/C12H14N2O2S/c1-16-11-3-2-5-13-12(11)14-7-10(15)9-4-6-17-8-9/h2-6,8,10,15H,7H2,1H3,(H,13,14)
InChIKeyLINKCYTWHIWMOD-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.30
Rot. Bonds5

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

2-[(3-methoxy-2-pyridinyl)amino]-1-thiophen-3-ylethanol (PubChem CID 106435613) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-[(3-methoxy-2-pyridinyl)amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(3-methoxy-2-pyridinyl)amino]-1-thiophen-3-ylethanol
PubChem CID106435613
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name2-[(3-methoxy-2-pyridinyl)amino]-1-thiophen-3-ylethanol
SMILESCOc1cccnc1NCC(O)c1ccsc1
InChIInChI=1S/C12H14N2O2S/c1-16-11-3-2-5-13-12(11)14-7-10(15)9-4-6-17-8-9/h2-6,8,10,15H,7H2,1H3,(H,13,14)
InChIKeyLINKCYTWHIWMOD-UHFFFAOYSA-N
XLogP2.30
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-3-methoxyanilino)-1-thiophen-3-ylethanol
CID 106434602
2-[2-(2-methoxyphenoxy)ethylamino]-1-thiophen-3-ylethanol
CID 106435231
2-[(1-ethylimidazol-2-yl)amino]-1-thiophen-3-ylethanol
CID 106435664
2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-thiophen-3-ylethanol
CID 103785255
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1-propylpyrazin-2-one
CID 106435749
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methoxyphenyl)urea
CID 52992664
2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436412
2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188670
5-[(3-methoxy-2-pyridinyl)amino]pentan-2-ol
CID 106128585
2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-1-thiophen-3-ylethanol
CID 106434750
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 114188611
1-thiophen-3-yl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethanol
CID 103710821

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-2-pyridinyl)amino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(3-methoxy-2-pyridinyl)amino]-1-thiophen-3-ylethanol (CID 106435613) is 2-[(3-methoxy-2-pyridinyl)amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(3-methoxy-2-pyridinyl)amino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(3-methoxy-2-pyridinyl)amino]-1-thiophen-3-ylethanol is COc1cccnc1NCC(O)c1ccsc1.
What is the InChIKey of 2-[(3-methoxy-2-pyridinyl)amino]-1-thiophen-3-ylethanol?
The InChIKey is LINKCYTWHIWMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-16-11-3-2-5-13-12(11)14-7-10(15)9-4-6-17-8-9/h2-6,8,10,15H,7H2,1H3,(H,13,14).
What are the key properties of 2-[(3-methoxy-2-pyridinyl)amino]-1-thiophen-3-ylethanol?
2-[(3-methoxy-2-pyridinyl)amino]-1-thiophen-3-ylethanol has a molecular weight of 250.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-2-pyridinyl)amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 106435613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).