2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol

C12H20N2O2S — CID 111612970

IUPAC2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1csc(C(C)OC)n1
InChIInChI=1S/C12H20N2O2S/c1-4-5-14(6-7-15)8-11-9-17-12(13-11)10(2)16-3/h4,9-10,15H,1,5-8H2,2-3H3
InChIKeyVBDLNARKXUUWHO-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.83
Rot. Bonds8

About 2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol

2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol (PubChem CID 111612970) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol
PubChem CID111612970
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1csc(C(C)OC)n1
InChIInChI=1S/C12H20N2O2S/c1-4-5-14(6-7-15)8-11-9-17-12(13-11)10(2)16-3/h4,9-10,15H,1,5-8H2,2-3H3
InChIKeyVBDLNARKXUUWHO-UHFFFAOYSA-N
XLogP1.83
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[4-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 115631792
2-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol
CID 111488137
2-[(2-phenyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]ethanol
CID 115631926
1-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,3,3-trimethylurea
CID 99775487
2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol
CID 115633493
4-ethyl-2-(1-methoxyethyl)-1,3-thiazole
CID 115680000
2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]ethanol
CID 115633439
2-[4-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 111496598
5-chloro-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrimidin-2-amine
CID 133337743
6-ethoxy-N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methylpyrazin-2-amine
CID 97234611
(1S)-N-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-methylethanamine
CID 95787187
(2S)-2-[benzyl-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]amino]butan-1-ol
CID 75455984

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol?
The IUPAC name of 2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol (CID 111612970) is 2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol is C=CCN(CCO)Cc1csc(C(C)OC)n1.
What is the InChIKey of 2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol?
The InChIKey is VBDLNARKXUUWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-5-14(6-7-15)8-11-9-17-12(13-11)10(2)16-3/h4,9-10,15H,1,5-8H2,2-3H3.
What are the key properties of 2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol?
2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol has a molecular weight of 256.37 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol is sourced from PubChem (CID 111612970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).