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

C12H22N4O2S — CID 103361605

IUPAC2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-N,N-diethylacetamide
SMILESCCOc1c(N)nsc1N(C)CC(=O)N(CC)CC
InChIInChI=1S/C12H22N4O2S/c1-5-16(6-2)9(17)8-15(4)12-10(18-7-3)11(13)14-19-12/h5-8H2,1-4H3,(H2,13,14)
InChIKeyTUFYBRHTVZWPMB-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.43
Rot. Bonds7

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

2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-N,N-diethylacetamide (PubChem CID 103361605) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-N,N-diethylacetamide
PubChem CID103361605
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-N,N-diethylacetamide
SMILESCCOc1c(N)nsc1N(C)CC(=O)N(CC)CC
InChIInChI=1S/C12H22N4O2S/c1-5-16(6-2)9(17)8-15(4)12-10(18-7-3)11(13)14-19-12/h5-8H2,1-4H3,(H2,13,14)
InChIKeyTUFYBRHTVZWPMB-UHFFFAOYSA-N
XLogP1.43
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol
CID 103360625
5-N-butyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103362406
5-N-(2,2-difluoroethyl)-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103365691
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
2-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide
CID 103361441
5-N-cyclohexyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103362232
5-N-[3-(diethylamino)propyl]-4-ethoxy-5-N-ethyl-1,2-thiazole-3,5-diamine
CID 103366005
4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
CID 103362242
2-[(6-amino-5-nitropyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 80808538
4-ethoxy-5-N-ethyl-5-N-(pyridin-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103361278
2-[(4-aminopyrimidin-2-yl)-methylamino]-N,N-diethylacetamide
CID 115978158

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-N,N-diethylacetamide (CID 103361605) is 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-N,N-diethylacetamide is CCOc1c(N)nsc1N(C)CC(=O)N(CC)CC.
What is the InChIKey of 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-N,N-diethylacetamide?
The InChIKey is TUFYBRHTVZWPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-5-16(6-2)9(17)8-15(4)12-10(18-7-3)11(13)14-19-12/h5-8H2,1-4H3,(H2,13,14).
What are the key properties of 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-N,N-diethylacetamide?
2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-N,N-diethylacetamide has a molecular weight of 286.40 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 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]-N,N-diethylacetamide is sourced from PubChem (CID 103361605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).