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

C15H18N2O2S — CID 46232201

IUPAC3-[benzyl(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCN(CCO)Cc1ccccc1)c1nccs1
InChIInChI=1S/C15H18N2O2S/c18-10-9-17(12-13-4-2-1-3-5-13)8-6-14(19)15-16-7-11-20-15/h1-5,7,11,18H,6,8-10,12H2
InChIKeyFZVQZQWJEBBQCD-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.21
Rot. Bonds8

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

3-[benzyl(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one (PubChem CID 46232201) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-[benzyl(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[benzyl(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
PubChem CID46232201
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name3-[benzyl(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCN(CCO)Cc1ccccc1)c1nccs1
InChIInChI=1S/C15H18N2O2S/c18-10-9-17(12-13-4-2-1-3-5-13)8-6-14(19)15-16-7-11-20-15/h1-5,7,11,18H,6,8-10,12H2
InChIKeyFZVQZQWJEBBQCD-UHFFFAOYSA-N
XLogP2.21
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 3-[benzyl(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one (CID 46232201) is 3-[benzyl(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 3-[benzyl(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 3-[benzyl(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one is O=C(CCN(CCO)Cc1ccccc1)c1nccs1.
What is the InChIKey of 3-[benzyl(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one?
The InChIKey is FZVQZQWJEBBQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c18-10-9-17(12-13-4-2-1-3-5-13)8-6-14(19)15-16-7-11-20-15/h1-5,7,11,18H,6,8-10,12H2.
What are the key properties of 3-[benzyl(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one?
3-[benzyl(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one has a molecular weight of 290.39 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 46232201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).