2-[2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]ethoxy]ethanol

C12H16N4O2S — CID 103360990

IUPAC2-[2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]ethoxy]ethanol
SMILESNc1nsc(NCCOCCO)c1-c1ccncc1
InChIInChI=1S/C12H16N4O2S/c13-11-10(9-1-3-14-4-2-9)12(19-16-11)15-5-7-18-8-6-17/h1-4,15,17H,5-8H2,(H2,13,16)
InChIKeyASUVUFLBCBLMKX-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.21
Rot. Bonds7

About 2-[2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]ethoxy]ethanol

2-[2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]ethoxy]ethanol (PubChem CID 103360990) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-[2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]ethoxy]ethanol
PubChem CID103360990
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name2-[2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]ethoxy]ethanol
SMILESNc1nsc(NCCOCCO)c1-c1ccncc1
InChIInChI=1S/C12H16N4O2S/c13-11-10(9-1-3-14-4-2-9)12(19-16-11)15-5-7-18-8-6-17/h1-4,15,17H,5-8H2,(H2,13,16)
InChIKeyASUVUFLBCBLMKX-UHFFFAOYSA-N
XLogP1.21
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]propoxy]ethanol
CID 106311959
4-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]butan-2-ol
CID 103359777
3-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]-2,2-difluoropropan-1-ol
CID 106174702
5-N-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
CID 103359870
4-pyridin-4-yl-5-N-(1,3-thiazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103365701
4-pyridin-4-yl-5-N-(2,3,3-trimethylbutyl)-1,2-thiazole-3,5-diamine
CID 103365005
5-[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]pentan-1-ol
CID 107324546
5-N-(3-methylpentan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
CID 103359578
5-N-(1-ethoxypropan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
CID 103360282
5-N-(2-cyclopentyloxyethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361700
5-N-[(1,1-dioxothiolan-3-yl)methyl]-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
CID 103359263
5-N-[2-(3-methylbutoxy)ethyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103379335

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]ethoxy]ethanol (CID 103360990) is 2-[2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]ethoxy]ethanol is Nc1nsc(NCCOCCO)c1-c1ccncc1.
What is the InChIKey of 2-[2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]ethoxy]ethanol?
The InChIKey is ASUVUFLBCBLMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c13-11-10(9-1-3-14-4-2-9)12(19-16-11)15-5-7-18-8-6-17/h1-4,15,17H,5-8H2,(H2,13,16).
What are the key properties of 2-[2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]ethoxy]ethanol?
2-[2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]ethoxy]ethanol has a molecular weight of 280.35 g/mol, XLogP of 1.21, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 103360990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).