3-[(4-hydroxy-2-methylbutan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one

C11H18N2O2S — CID 70926006

IUPAC3-[(4-hydroxy-2-methylbutan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
SMILESCC(C)(CCO)NCCC(=O)c1nccs1
InChIInChI=1S/C11H18N2O2S/c1-11(2,4-7-14)13-5-3-9(15)10-12-6-8-16-10/h6,8,13-14H,3-5,7H2,1-2H3
InChIKeyMAQRYGVXCDQQTC-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.47
Rot. Bonds7

About 3-[(4-hydroxy-2-methylbutan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one

3-[(4-hydroxy-2-methylbutan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one (PubChem CID 70926006) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 3-[(4-hydroxy-2-methylbutan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[(4-hydroxy-2-methylbutan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
PubChem CID70926006
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name3-[(4-hydroxy-2-methylbutan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
SMILESCC(C)(CCO)NCCC(=O)c1nccs1
InChIInChI=1S/C11H18N2O2S/c1-11(2,4-7-14)13-5-3-9(15)10-12-6-8-16-10/h6,8,13-14H,3-5,7H2,1-2H3
InChIKeyMAQRYGVXCDQQTC-UHFFFAOYSA-N
XLogP1.47
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(4-hydroxy-2-methylbutan-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

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-2-methylbutan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 3-[(4-hydroxy-2-methylbutan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one (CID 70926006) is 3-[(4-hydroxy-2-methylbutan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 3-[(4-hydroxy-2-methylbutan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 3-[(4-hydroxy-2-methylbutan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one is CC(C)(CCO)NCCC(=O)c1nccs1.
What is the InChIKey of 3-[(4-hydroxy-2-methylbutan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one?
The InChIKey is MAQRYGVXCDQQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-11(2,4-7-14)13-5-3-9(15)10-12-6-8-16-10/h6,8,13-14H,3-5,7H2,1-2H3.
What are the key properties of 3-[(4-hydroxy-2-methylbutan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one?
3-[(4-hydroxy-2-methylbutan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one has a molecular weight of 242.34 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-2-methylbutan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 70926006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).