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

C11H16N2OS — CID 106379744

IUPAC4-[(dicyclopropylmethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC(C2CC2)C2CC2)cs1
InChIInChI=1S/C11H16N2OS/c14-11-13-9(6-15-11)5-12-10(7-1-2-7)8-3-4-8/h6-8,10,12H,1-5H2,(H,13,14)
InChIKeyPYYARCYJVFOQEE-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.71
Rot. Bonds5

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

4-[(dicyclopropylmethylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379744) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-[(dicyclopropylmethylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(dicyclopropylmethylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106379744
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name4-[(dicyclopropylmethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC(C2CC2)C2CC2)cs1
InChIInChI=1S/C11H16N2OS/c14-11-13-9(6-15-11)5-12-10(7-1-2-7)8-3-4-8/h6-8,10,12H,1-5H2,(H,13,14)
InChIKeyPYYARCYJVFOQEE-UHFFFAOYSA-N
XLogP1.71
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380269
4-[(3-methylbutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380474
4-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380194
N-ethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106381107
4-[[2-(cyclopropylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381713
4-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379748
N-tert-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 114181405
4-[(1-ethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379693
N-(methylcarbamoyl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106380803
N,N-dimethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106380790
4-[(1-morpholin-3-ylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 114181230
N-(2-methylbutan-2-yl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106380948

Frequently Asked Questions

What is the IUPAC name of 4-[(dicyclopropylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(dicyclopropylmethylamino)methyl]-3H-1,3-thiazol-2-one (CID 106379744) is 4-[(dicyclopropylmethylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(dicyclopropylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(dicyclopropylmethylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNC(C2CC2)C2CC2)cs1.
What is the InChIKey of 4-[(dicyclopropylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is PYYARCYJVFOQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c14-11-13-9(6-15-11)5-12-10(7-1-2-7)8-3-4-8/h6-8,10,12H,1-5H2,(H,13,14).
What are the key properties of 4-[(dicyclopropylmethylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(dicyclopropylmethylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 224.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dicyclopropylmethylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).