tert-butyl N-(4-hydroxy-1,3-thiazol-2-yl)carbamate

C8H12N2O3S — CID 91560802

IUPACtert-butyl N-(4-hydroxy-1,3-thiazol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(O)cs1
InChIInChI=1S/C8H12N2O3S/c1-8(2,3)13-7(12)10-6-9-5(11)4-14-6/h4,11H,1-3H3,(H,9,10,12)
InChIKeyWBJICBGHZWBGGC-UHFFFAOYSA-N
MW216.26 g/mol
LogP2.20
Rot. Bonds1

About tert-butyl N-(4-hydroxy-1,3-thiazol-2-yl)carbamate

tert-butyl N-(4-hydroxy-1,3-thiazol-2-yl)carbamate (PubChem CID 91560802) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is tert-butyl N-(4-hydroxy-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-hydroxy-1,3-thiazol-2-yl)carbamate
PubChem CID91560802
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Nametert-butyl N-(4-hydroxy-1,3-thiazol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(O)cs1
InChIInChI=1S/C8H12N2O3S/c1-8(2,3)13-7(12)10-6-9-5(11)4-14-6/h4,11H,1-3H3,(H,9,10,12)
InChIKeyWBJICBGHZWBGGC-UHFFFAOYSA-N
XLogP2.20
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-hydroxy-1,3-thiazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4-hydroxy-1,3-thiazol-2-yl)carbamate (CID 91560802) is tert-butyl N-(4-hydroxy-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-hydroxy-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-hydroxy-1,3-thiazol-2-yl)carbamate is CC(C)(C)OC(=O)Nc1nc(O)cs1.
What is the InChIKey of tert-butyl N-(4-hydroxy-1,3-thiazol-2-yl)carbamate?
The InChIKey is WBJICBGHZWBGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-8(2,3)13-7(12)10-6-9-5(11)4-14-6/h4,11H,1-3H3,(H,9,10,12).
What are the key properties of tert-butyl N-(4-hydroxy-1,3-thiazol-2-yl)carbamate?
tert-butyl N-(4-hydroxy-1,3-thiazol-2-yl)carbamate has a molecular weight of 216.26 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-hydroxy-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 91560802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).