4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-3H-1,3-thiazol-2-one

C9H16N2O2S — CID 106379990

IUPAC4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)(CO)CNCc1csc(=O)[nH]1
InChIInChI=1S/C9H16N2O2S/c1-9(2,6-12)5-10-3-7-4-14-8(13)11-7/h4,10,12H,3,5-6H2,1-2H3,(H,11,13)
InChIKeyRDGYNGKZNBDMIH-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.54
Rot. Bonds5

About 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379990) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106379990
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)(CO)CNCc1csc(=O)[nH]1
InChIInChI=1S/C9H16N2O2S/c1-9(2,6-12)5-10-3-7-4-14-8(13)11-7/h4,10,12H,3,5-6H2,1-2H3,(H,11,13)
InChIKeyRDGYNGKZNBDMIH-UHFFFAOYSA-N
XLogP0.54
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 43417694
N-(3-hydroxy-2-methylpropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 65036828
N-(3-hydroxy-2,2-dimethylpropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 81646515
4-[[(3-methyloxetan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379635
4-[(4-methoxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379815
4-[[[2-(hydroxymethyl)-2-methylbutyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106379858
4-[(2,2-dimethylpropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379943
4-[[(3-methoxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380101
4-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380436
4-[(3-hydroxypropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380680
4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380692
4-[(3-hydroxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380729

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106379990) is 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-3H-1,3-thiazol-2-one is CC(C)(CO)CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is RDGYNGKZNBDMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-9(2,6-12)5-10-3-7-4-14-8(13)11-7/h4,10,12H,3,5-6H2,1-2H3,(H,11,13).
What are the key properties of 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 216.31 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).