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

C8H14N2O2S — CID 106380863

IUPAC4-[[(3-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(CO)CNCc1csc(=O)[nH]1
InChIInChI=1S/C8H14N2O2S/c1-6(4-11)2-9-3-7-5-13-8(12)10-7/h5-6,9,11H,2-4H2,1H3,(H,10,12)
InChIKeyOCBDWHKOGJWVCE-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.15
Rot. Bonds5

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

4-[[(3-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380863) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 4-[[(3-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380863
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name4-[[(3-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(CO)CNCc1csc(=O)[nH]1
InChIInChI=1S/C8H14N2O2S/c1-6(4-11)2-9-3-7-5-13-8(12)10-7/h5-6,9,11H,2-4H2,1H3,(H,10,12)
InChIKeyOCBDWHKOGJWVCE-UHFFFAOYSA-N
XLogP0.15
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.15
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-[(2-methylpropylamino)methyl]-3H-1,3-thiazol-2-one
CID 103113162
4-[[(3-methyloxetan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379635
4-[[[2-(hydroxymethyl)-2-methylbutyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106379858
4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379990
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
2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 106380666
4-[(2-hydroxypropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380675
4-[(3-hydroxypropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380680

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106380863) is 4-[[(3-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one is CC(CO)CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[(3-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is OCBDWHKOGJWVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-6(4-11)2-9-3-7-5-13-8(12)10-7/h5-6,9,11H,2-4H2,1H3,(H,10,12).
What are the key properties of 4-[[(3-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3-hydroxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 202.28 g/mol, XLogP of 0.15, 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-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).