4-[(1-ethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one

C9H16N2O2S — CID 106379693

IUPAC4-[(1-ethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCCOCC(C)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H16N2O2S/c1-3-13-5-7(2)10-4-8-6-14-9(12)11-8/h6-7,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyYMUZMXWOGOKHTN-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.95
Rot. Bonds6

About 4-[(1-ethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one

4-[(1-ethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379693) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 4-[(1-ethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(1-ethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106379693
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name4-[(1-ethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCCOCC(C)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H16N2O2S/c1-3-13-5-7(2)10-4-8-6-14-9(12)11-8/h6-7,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyYMUZMXWOGOKHTN-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-methylbutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380474
N,N-dimethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106380790
4-[[1-(2-hydroxyphenyl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 114181361
4-[[(2-amino-3-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381832
4-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380424
4-[(dicyclopropylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379744
4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380378
4-[(2-methylpentylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380059
1-ethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 115729314
N-[(4-chlorothiophen-2-yl)methyl]-1-ethoxypropan-2-amine
CID 79420004
4-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 114181273
4-[(1-phenylbutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380017

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(1-ethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one (CID 106379693) is 4-[(1-ethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(1-ethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(1-ethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one is CCOCC(C)NCc1csc(=O)[nH]1.
What is the InChIKey of 4-[(1-ethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is YMUZMXWOGOKHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-3-13-5-7(2)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-[(1-ethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(1-ethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 216.31 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).