tert-butyl-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]carbamic acid

C10H16N2O4S — CID 123906695

IUPACtert-butyl-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]carbamic acid
SMILESCC(C)(C)N(CCn1c(O)csc1=O)C(=O)O
InChIInChI=1S/C10H16N2O4S/c1-10(2,3)12(8(14)15)5-4-11-7(13)6-17-9(11)16/h6,13H,4-5H2,1-3H3,(H,14,15)
InChIKeyAUZRBAYXFOWKJU-UHFFFAOYSA-N
MW260.31 g/mol
LogP1.39
Rot. Bonds3

About tert-butyl-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]carbamic acid

tert-butyl-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]carbamic acid (PubChem CID 123906695) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is tert-butyl-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]carbamic acid
PubChem CID123906695
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Nametert-butyl-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]carbamic acid
SMILESCC(C)(C)N(CCn1c(O)csc1=O)C(=O)O
InChIInChI=1S/C10H16N2O4S/c1-10(2,3)12(8(14)15)5-4-11-7(13)6-17-9(11)16/h6,13H,4-5H2,1-3H3,(H,14,15)
InChIKeyAUZRBAYXFOWKJU-UHFFFAOYSA-N
XLogP1.39
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]carbamic acid?
The IUPAC name of tert-butyl-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]carbamic acid (CID 123906695) is tert-butyl-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]carbamic acid.
What is the SMILES notation for tert-butyl-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]carbamic acid?
The canonical SMILES for tert-butyl-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]carbamic acid is CC(C)(C)N(CCn1c(O)csc1=O)C(=O)O.
What is the InChIKey of tert-butyl-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]carbamic acid?
The InChIKey is AUZRBAYXFOWKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-10(2,3)12(8(14)15)5-4-11-7(13)6-17-9(11)16/h6,13H,4-5H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]carbamic acid?
tert-butyl-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]carbamic acid has a molecular weight of 260.31 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]carbamic acid is sourced from PubChem (CID 123906695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).