tert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate

C11H14N2O4S — CID 162413574

IUPACtert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)c1csc(C=O)n1
InChIInChI=1S/C11H14N2O4S/c1-11(2,3)17-10(16)12-4-8(15)7-6-18-9(5-14)13-7/h5-6H,4H2,1-3H3,(H,12,16)
InChIKeyDLMQHIAQWBDWRP-UHFFFAOYSA-N
MW270.31 g/mol
LogP1.66
Rot. Bonds4

About tert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate

tert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate (PubChem CID 162413574) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is tert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate
PubChem CID162413574
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Nametert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)c1csc(C=O)n1
InChIInChI=1S/C11H14N2O4S/c1-11(2,3)17-10(16)12-4-8(15)7-6-18-9(5-14)13-7/h5-6H,4H2,1-3H3,(H,12,16)
InChIKeyDLMQHIAQWBDWRP-UHFFFAOYSA-N
XLogP1.66
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl ((4-formylthiazol-2-YL)methyl)carbamate
CID 22916672
tert-butyl N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate
CID 103653466
Ethyl 4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-1,3-thiazole-2-carboxylate
CID 176600210
tert-butyl N-[2-[2-[[tert-butyl(dimethyl)silyl]oxy-cyanomethyl]-1,3-thiazol-4-yl]-2-oxoethyl]carbamate
CID 146167599
tert-butyl N-[2-oxo-2-[2-(triethylsilyloxymethyl)-1,3-thiazol-4-yl]ethyl]carbamate
CID 162413460
2-(2-Formyl-1,3-thiazol-4-yl)ethylcarbamic acid
CID 23106555
tert-butyl N-[1-(2-formyl-1,3-thiazol-4-yl)ethyl]carbamate
CID 53492789
tert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]carbamate
CID 91528167
tert-butyl N-[(4-acetyl-1,3-thiazol-2-yl)methyl]carbamate
CID 130441257
tert-butyl N-[(4-acetyl-1,3-thiazol-2-yl)methyl]-N-methylcarbamate
CID 138552649
tert-butyl N-[1-(2-formyl-1,3-thiazol-4-yl)propan-2-yl]carbamate
CID 139987646
tert-butyl N-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]carbamate
CID 147855595

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate (CID 162413574) is tert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)c1csc(C=O)n1.
What is the InChIKey of tert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate?
The InChIKey is DLMQHIAQWBDWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-11(2,3)17-10(16)12-4-8(15)7-6-18-9(5-14)13-7/h5-6H,4H2,1-3H3,(H,12,16).
What are the key properties of tert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate?
tert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate has a molecular weight of 270.31 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-formyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 162413574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).