tert-butyl N-[5-(2-oxoethyl)-1,3-thiazol-2-yl]carbamate

C10H14N2O3S — CID 20624461

IUPACtert-butyl N-[5-(2-oxoethyl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc(CC=O)s1
InChIInChI=1S/C10H14N2O3S/c1-10(2,3)15-9(14)12-8-11-6-7(16-8)4-5-13/h5-6H,4H2,1-3H3,(H,11,12,14)
InChIKeyXFTJMIQRZBXYDD-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.23
Rot. Bonds3

About tert-butyl N-[5-(2-oxoethyl)-1,3-thiazol-2-yl]carbamate

tert-butyl N-[5-(2-oxoethyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 20624461) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is tert-butyl N-[5-(2-oxoethyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(2-oxoethyl)-1,3-thiazol-2-yl]carbamate
PubChem CID20624461
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Nametert-butyl N-[5-(2-oxoethyl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc(CC=O)s1
InChIInChI=1S/C10H14N2O3S/c1-10(2,3)15-9(14)12-8-11-6-7(16-8)4-5-13/h5-6H,4H2,1-3H3,(H,11,12,14)
InChIKeyXFTJMIQRZBXYDD-UHFFFAOYSA-N
XLogP2.23
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(2-oxoethyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(2-oxoethyl)-1,3-thiazol-2-yl]carbamate (CID 20624461) is tert-butyl N-[5-(2-oxoethyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(2-oxoethyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(2-oxoethyl)-1,3-thiazol-2-yl]carbamate is CC(C)(C)OC(=O)Nc1ncc(CC=O)s1.
What is the InChIKey of tert-butyl N-[5-(2-oxoethyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is XFTJMIQRZBXYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-10(2,3)15-9(14)12-8-11-6-7(16-8)4-5-13/h5-6H,4H2,1-3H3,(H,11,12,14).
What are the key properties of tert-butyl N-[5-(2-oxoethyl)-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[5-(2-oxoethyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 242.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(2-oxoethyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 20624461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).