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

C11H18N2O2S — CID 46232202

IUPAC3-[2-hydroxyethyl(propan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
SMILESCC(C)N(CCO)CCC(=O)c1nccs1
InChIInChI=1S/C11H18N2O2S/c1-9(2)13(6-7-14)5-3-10(15)11-12-4-8-16-11/h4,8-9,14H,3,5-7H2,1-2H3
InChIKeyOIWZXSWSLAIRGH-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.42
Rot. Bonds7

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

3-[2-hydroxyethyl(propan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one (PubChem CID 46232202) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(propan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[2-hydroxyethyl(propan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
PubChem CID46232202
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name3-[2-hydroxyethyl(propan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
SMILESCC(C)N(CCO)CCC(=O)c1nccs1
InChIInChI=1S/C11H18N2O2S/c1-9(2)13(6-7-14)5-3-10(15)11-12-4-8-16-11/h4,8-9,14H,3,5-7H2,1-2H3
InChIKeyOIWZXSWSLAIRGH-UHFFFAOYSA-N
XLogP1.42
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-hydroxyethyl(propan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[Bis(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
CID 46232203
3-[Tert-butyl(2-hydroxyethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
CID 46232204
3-[2-Hydroxyethyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
CID 46232205
3-[Butyl(2-hydroxyethyl)amino]-1-(5-methyl-1,3-thiazol-2-yl)propan-1-one
CID 46232281
1-Propanone, 3-(dimethylamino)-1-(2-thiazolyl)-, hydrochloride
CID 214599
3-(Dimethylamino)-1-(1,3-thiazol-2-yl)propan-1-one
CID 214600
1-(1,3-Thiazol-2-yl)propane-1,2-dione
CID 69504447
3-[(4-Hydroxy-2-methylbutan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
CID 70926006
3-(3-Hydroxypropylamino)-1-(1,3-thiazol-2-yl)propan-1-one
CID 70926188
3-[(1-Hydroxy-3,3-dimethylbutan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
CID 70926856
3-[(2-Hydroxy-3,3-dimethylbutyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
CID 70926857
1-Hydroxy-1-(1,3-thiazol-2-yl)propan-2-one
CID 90178983

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(propan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 3-[2-hydroxyethyl(propan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one (CID 46232202) is 3-[2-hydroxyethyl(propan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 3-[2-hydroxyethyl(propan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 3-[2-hydroxyethyl(propan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one is CC(C)N(CCO)CCC(=O)c1nccs1.
What is the InChIKey of 3-[2-hydroxyethyl(propan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one?
The InChIKey is OIWZXSWSLAIRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-9(2)13(6-7-14)5-3-10(15)11-12-4-8-16-11/h4,8-9,14H,3,5-7H2,1-2H3.
What are the key properties of 3-[2-hydroxyethyl(propan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one?
3-[2-hydroxyethyl(propan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one has a molecular weight of 242.34 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(propan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 46232202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).