1-ethoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol

C11H20N2O2S — CID 106045106

IUPAC1-ethoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol
SMILESCCOCC(O)CNCCc1csc(C)n1
InChIInChI=1S/C11H20N2O2S/c1-3-15-7-11(14)6-12-5-4-10-8-16-9(2)13-10/h8,11-12,14H,3-7H2,1-2H3
InChIKeySYTUQGNPKGCUIM-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.98
Rot. Bonds8

About 1-ethoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol

1-ethoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol (PubChem CID 106045106) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-ethoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol
PubChem CID106045106
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name1-ethoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol
SMILESCCOCC(O)CNCCc1csc(C)n1
InChIInChI=1S/C11H20N2O2S/c1-3-15-7-11(14)6-12-5-4-10-8-16-9(2)13-10/h8,11-12,14H,3-7H2,1-2H3
InChIKeySYTUQGNPKGCUIM-UHFFFAOYSA-N
XLogP0.98
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylphenoxy)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol
CID 106045312
1-(2-fluorophenoxy)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol
CID 106045102
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
2,2-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 106045224
2-(2-methyl-1,3-thiazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 106045227
1-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol
CID 61285786
2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoic acid
CID 106035939
N-(2-butoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106045200
1-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethanol
CID 106045212
1-ethoxy-3-(propylamino)propan-2-ol
CID 15683481
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]nonan-1-amine
CID 106045197
methyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate
CID 106035988

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol (CID 106045106) is 1-ethoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol is CCOCC(O)CNCCc1csc(C)n1.
What is the InChIKey of 1-ethoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol?
The InChIKey is SYTUQGNPKGCUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-3-15-7-11(14)6-12-5-4-10-8-16-9(2)13-10/h8,11-12,14H,3-7H2,1-2H3.
What are the key properties of 1-ethoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol?
1-ethoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol has a molecular weight of 244.36 g/mol, XLogP of 0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 106045106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).