3-[2-hydroxyethyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one

C9H14N2O2S — CID 46232205

IUPAC3-[2-hydroxyethyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
SMILESCN(CCO)CCC(=O)c1nccs1
InChIInChI=1S/C9H14N2O2S/c1-11(5-6-12)4-2-8(13)9-10-3-7-14-9/h3,7,12H,2,4-6H2,1H3
InChIKeyQITBLYRHHDIWLO-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.64
Rot. Bonds6

About 3-[2-hydroxyethyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one

3-[2-hydroxyethyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one (PubChem CID 46232205) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[2-hydroxyethyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
PubChem CID46232205
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name3-[2-hydroxyethyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
SMILESCN(CCO)CCC(=O)c1nccs1
InChIInChI=1S/C9H14N2O2S/c1-11(5-6-12)4-2-8(13)9-10-3-7-14-9/h3,7,12H,2,4-6H2,1H3
InChIKeyQITBLYRHHDIWLO-UHFFFAOYSA-N
XLogP0.64
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one (CID 46232205) is 3-[2-hydroxyethyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 3-[2-hydroxyethyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 3-[2-hydroxyethyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one is CN(CCO)CCC(=O)c1nccs1.
What is the InChIKey of 3-[2-hydroxyethyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one?
The InChIKey is QITBLYRHHDIWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-11(5-6-12)4-2-8(13)9-10-3-7-14-9/h3,7,12H,2,4-6H2,1H3.
What are the key properties of 3-[2-hydroxyethyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one?
3-[2-hydroxyethyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one has a molecular weight of 214.29 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 46232205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).