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

C10H18N2O4S — CID 106380996

IUPAC4-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCOCCOCC(O)CNCc1csc(=O)[nH]1
InChIInChI=1S/C10H18N2O4S/c1-15-2-3-16-6-9(13)5-11-4-8-7-17-10(14)12-8/h7,9,11,13H,2-6H2,1H3,(H,12,14)
InChIKeyYPKOHNWWICXSAM-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.45
Rot. Bonds9

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

4-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380996) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380996
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name4-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCOCCOCC(O)CNCc1csc(=O)[nH]1
InChIInChI=1S/C10H18N2O4S/c1-15-2-3-16-6-9(13)5-11-4-8-7-17-10(14)12-8/h7,9,11,13H,2-6H2,1H3,(H,12,14)
InChIKeyYPKOHNWWICXSAM-UHFFFAOYSA-N
XLogP-0.45
TPSA83.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-3-methoxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 64286282
N-[3-(2-hydroxyethoxy)propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 104007349
4-[(2-hydroxypropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380675
4-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380678
4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380692
4-[[(2-hydroxy-3-octoxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380697
4-[(2,3-dihydroxypropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380712
4-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380716
4-[(3-hydroxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380729
4-[[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380740
4-[[(3-butoxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380748
4-[[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380752

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106380996) is 4-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one is COCCOCC(O)CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is YPKOHNWWICXSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-15-2-3-16-6-9(13)5-11-4-8-7-17-10(14)12-8/h7,9,11,13H,2-6H2,1H3,(H,12,14).
What are the key properties of 4-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 262.33 g/mol, XLogP of -0.45, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).