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

C11H20N2O3S — CID 106381043

IUPAC4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)COCC(O)CNCc1csc(=O)[nH]1
InChIInChI=1S/C11H20N2O3S/c1-8(2)5-16-6-10(14)4-12-3-9-7-17-11(15)13-9/h7-8,10,12,14H,3-6H2,1-2H3,(H,13,15)
InChIKeyOEEYWBXAUNAYDN-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.56
Rot. Bonds8

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

4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381043) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381043
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)COCC(O)CNCc1csc(=O)[nH]1
InChIInChI=1S/C11H20N2O3S/c1-8(2)5-16-6-10(14)4-12-3-9-7-17-11(15)13-9/h7-8,10,12,14H,3-6H2,1-2H3,(H,13,15)
InChIKeyOEEYWBXAUNAYDN-UHFFFAOYSA-N
XLogP0.56
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106381043) is 4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one is CC(C)COCC(O)CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is OEEYWBXAUNAYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-8(2)5-16-6-10(14)4-12-3-9-7-17-11(15)13-9/h7-8,10,12,14H,3-6H2,1-2H3,(H,13,15).
What are the key properties of 4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 260.36 g/mol, XLogP of 0.56, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).