1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol

C12H22N2O3S — CID 55112082

IUPAC1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCOCCN(c1ncc(C(C)O)s1)C(C)COC
InChIInChI=1S/C12H22N2O3S/c1-9(8-17-4)14(5-6-16-3)12-13-7-11(18-12)10(2)15/h7,9-10,15H,5-6,8H2,1-4H3
InChIKeyDMHKYWAVMAQSEJ-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.68
Rot. Bonds8

About 1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol

1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol (PubChem CID 55112082) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol
PubChem CID55112082
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCOCCN(c1ncc(C(C)O)s1)C(C)COC
InChIInChI=1S/C12H22N2O3S/c1-9(8-17-4)14(5-6-16-3)12-13-7-11(18-12)10(2)15/h7,9-10,15H,5-6,8H2,1-4H3
InChIKeyDMHKYWAVMAQSEJ-UHFFFAOYSA-N
XLogP1.68
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol (CID 55112082) is 1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol is COCCN(c1ncc(C(C)O)s1)C(C)COC.
What is the InChIKey of 1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol?
The InChIKey is DMHKYWAVMAQSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-9(8-17-4)14(5-6-16-3)12-13-7-11(18-12)10(2)15/h7,9-10,15H,5-6,8H2,1-4H3.
What are the key properties of 1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol?
1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol has a molecular weight of 274.39 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 55112082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).