2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol

C13H17N3OS — CID 106436357

IUPAC2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol
SMILESCCNc1cccc(NCC(O)c2ccsc2)n1
InChIInChI=1S/C13H17N3OS/c1-2-14-12-4-3-5-13(16-12)15-8-11(17)10-6-7-18-9-10/h3-7,9,11,17H,2,8H2,1H3,(H2,14,15,16)
InChIKeyBYXHUALPXGANLZ-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.72
Rot. Bonds6

About 2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol

2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol (PubChem CID 106436357) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol
PubChem CID106436357
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol
SMILESCCNc1cccc(NCC(O)c2ccsc2)n1
InChIInChI=1S/C13H17N3OS/c1-2-14-12-4-3-5-13(16-12)15-8-11(17)10-6-7-18-9-10/h3-7,9,11,17H,2,8H2,1H3,(H2,14,15,16)
InChIKeyBYXHUALPXGANLZ-UHFFFAOYSA-N
XLogP2.72
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188665
6-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-2-carboxylic acid
CID 114188591
2-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 113412276
2-[(5-amino-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 114188456
2-[[2-(propylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436437
2-[(2-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 103761546
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436326
2-[(5-amino-6-propoxy-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 106434587
2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436448
2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188663
2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 133402202
2-(4-ethylsulfonylanilino)-1-thiophen-3-ylethanol
CID 102846389

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol (CID 106436357) is 2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol is CCNc1cccc(NCC(O)c2ccsc2)n1.
What is the InChIKey of 2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol?
The InChIKey is BYXHUALPXGANLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-2-14-12-4-3-5-13(16-12)15-8-11(17)10-6-7-18-9-10/h3-7,9,11,17H,2,8H2,1H3,(H2,14,15,16).
What are the key properties of 2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol?
2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol has a molecular weight of 263.37 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 106436357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).