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

C8H15N3O2S — CID 103360625

IUPAC2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol
SMILESCCOc1c(N)nsc1N(C)CCO
InChIInChI=1S/C8H15N3O2S/c1-3-13-6-7(9)10-14-8(6)11(2)4-5-12/h12H,3-5H2,1-2H3,(H2,9,10)
InChIKeyOJHSNYTXGDOVEN-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.55
Rot. Bonds5

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

2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol (PubChem CID 103360625) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol
PubChem CID103360625
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol
SMILESCCOc1c(N)nsc1N(C)CCO
InChIInChI=1S/C8H15N3O2S/c1-3-13-6-7(9)10-14-8(6)11(2)4-5-12/h12H,3-5H2,1-2H3,(H2,9,10)
InChIKeyOJHSNYTXGDOVEN-UHFFFAOYSA-N
XLogP0.55
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-butyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103362406
4-ethoxy-5-N-(2-ethoxyethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103364467
2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-2-methylpropan-1-ol
CID 103365425
5-N-(2,2-difluoroethyl)-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103365691
2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-N,N-diethylacetamide
CID 103361605
5-N-(2-ethoxyethyl)-4-methoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103383373
5-N-[(3-chlorophenyl)methyl]-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103360798
5-N-[3-(diethylamino)propyl]-4-ethoxy-5-N-ethyl-1,2-thiazole-3,5-diamine
CID 103366005
5-N-cyclohexyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103362232
4-ethoxy-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103361504
4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
CID 103362242
5-N-(2-methoxyethyl)-5-N-methyl-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103361756

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol?
The IUPAC name of 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol (CID 103360625) is 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol.
What is the SMILES notation for 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol?
The canonical SMILES for 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol is CCOc1c(N)nsc1N(C)CCO.
What is the InChIKey of 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol?
The InChIKey is OJHSNYTXGDOVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-3-13-6-7(9)10-14-8(6)11(2)4-5-12/h12H,3-5H2,1-2H3,(H2,9,10).
What are the key properties of 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol?
2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol has a molecular weight of 217.29 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol is sourced from PubChem (CID 103360625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).