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

C9H16N2O2S — CID 106380101

IUPAC4-[[(3-methoxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCOCC(C)CNCc1csc(=O)[nH]1
InChIInChI=1S/C9H16N2O2S/c1-7(5-13-2)3-10-4-8-6-14-9(12)11-8/h6-7,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyJEEQFQYAYXKAFF-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.81
Rot. Bonds6

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

4-[[(3-methoxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380101) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 4-[[(3-methoxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3-methoxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380101
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name4-[[(3-methoxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCOCC(C)CNCc1csc(=O)[nH]1
InChIInChI=1S/C9H16N2O2S/c1-7(5-13-2)3-10-4-8-6-14-9(12)11-8/h6-7,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyJEEQFQYAYXKAFF-UHFFFAOYSA-N
XLogP0.81
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380970
4-[(2-methoxyethylamino)methyl]-3H-1,3-thiazol-2-one
CID 103113155
4-[(2-methylpropylamino)methyl]-3H-1,3-thiazol-2-one
CID 103113162
2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 103775086
4-[[(3-methoxy-3-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379634
4-[[(3-methyloxetan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379635
4-[(1-ethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379693
4-[(1-methoxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379700
4-[(4-methoxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379815
4-[(3-methylbutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379884
4-[(oxolan-3-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379936
4-[(2,2-dimethylpropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379943

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methoxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3-methoxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106380101) is 4-[[(3-methoxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3-methoxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3-methoxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one is COCC(C)CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[(3-methoxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is JEEQFQYAYXKAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-7(5-13-2)3-10-4-8-6-14-9(12)11-8/h6-7,10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 4-[[(3-methoxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3-methoxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 216.31 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methoxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).