3-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one

C11H20N2O3S — CID 111462495

IUPAC3-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one
SMILESCOCC(O)CN(C)CCn1c(C)csc1=O
InChIInChI=1S/C11H20N2O3S/c1-9-8-17-11(15)13(9)5-4-12(2)6-10(14)7-16-3/h8,10,14H,4-7H2,1-3H3
InChIKeyYZTZXILFZGIEMT-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.16
Rot. Bonds7

About 3-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one

3-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 111462495) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one
PubChem CID111462495
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name3-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one
SMILESCOCC(O)CN(C)CCn1c(C)csc1=O
InChIInChI=1S/C11H20N2O3S/c1-9-8-17-11(15)13(9)5-4-12(2)6-10(14)7-16-3/h8,10,14H,4-7H2,1-3H3
InChIKeyYZTZXILFZGIEMT-UHFFFAOYSA-N
XLogP0.16
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 54993492
N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 61581161
N-(2-hydroxypropyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 62334254
N-(2-hydroxy-3-methoxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 64286282
3-(2,3-Dihydroxypropyl)-4-methyl-1,3-thiazol-2-one
CID 79838813
4-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380678
4-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380716
4-[[(3-butoxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380748
4-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380816
4-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380996
4-[[(2-hydroxy-3-methoxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381061
3-[2-[[2-Hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one
CID 109832515

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one (CID 111462495) is 3-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one is COCC(O)CN(C)CCn1c(C)csc1=O.
What is the InChIKey of 3-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is YZTZXILFZGIEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-9-8-17-11(15)13(9)5-4-12(2)6-10(14)7-16-3/h8,10,14H,4-7H2,1-3H3.
What are the key properties of 3-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one?
3-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 260.36 g/mol, XLogP of 0.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 111462495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).