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

C13H24N2O3S — CID 106381088

IUPAC4-[[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)CC(C)OCC(O)CNCc1csc(=O)[nH]1
InChIInChI=1S/C13H24N2O3S/c1-9(2)4-10(3)18-7-12(16)6-14-5-11-8-19-13(17)15-11/h8-10,12,14,16H,4-7H2,1-3H3,(H,15,17)
InChIKeyABBSWMHBPCKSRL-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.34
Rot. Bonds9

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

4-[[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381088) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 4-[[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381088
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name4-[[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)CC(C)OCC(O)CNCc1csc(=O)[nH]1
InChIInChI=1S/C13H24N2O3S/c1-9(2)4-10(3)18-7-12(16)6-14-5-11-8-19-13(17)15-11/h8-10,12,14,16H,4-7H2,1-3H3,(H,15,17)
InChIKeyABBSWMHBPCKSRL-UHFFFAOYSA-N
XLogP1.34
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.34
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-(4-methylpentan-2-yloxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106381088) is 4-[[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one is CC(C)CC(C)OCC(O)CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is ABBSWMHBPCKSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-9(2)4-10(3)18-7-12(16)6-14-5-11-8-19-13(17)15-11/h8-10,12,14,16H,4-7H2,1-3H3,(H,15,17).
What are the key properties of 4-[[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 288.41 g/mol, XLogP of 1.34, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).