tert-butyl N-(2-formyl-1,3-thiazol-5-yl)carbamate

C9H12N2O3S — CID 59503642

IUPACtert-butyl N-(2-formyl-1,3-thiazol-5-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc(C=O)s1
InChIInChI=1S/C9H12N2O3S/c1-9(2,3)14-8(13)11-6-4-10-7(5-12)15-6/h4-5H,1-3H3,(H,11,13)
InChIKeyGOAYIIHFCXVBQW-UHFFFAOYSA-N
MW228.27 g/mol
LogP2.30
Rot. Bonds2

About tert-butyl N-(2-formyl-1,3-thiazol-5-yl)carbamate

tert-butyl N-(2-formyl-1,3-thiazol-5-yl)carbamate (PubChem CID 59503642) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is tert-butyl N-(2-formyl-1,3-thiazol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-formyl-1,3-thiazol-5-yl)carbamate
PubChem CID59503642
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Nametert-butyl N-(2-formyl-1,3-thiazol-5-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc(C=O)s1
InChIInChI=1S/C9H12N2O3S/c1-9(2,3)14-8(13)11-6-4-10-7(5-12)15-6/h4-5H,1-3H3,(H,11,13)
InChIKeyGOAYIIHFCXVBQW-UHFFFAOYSA-N
XLogP2.30
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-(2-formyl-1,3-thiazol-5-yl)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 N-(2-bromo-1,3-thiazol-5-yl)carbamate
CID 46911876
Ethyl 5-{[(tert-butoxy)carbonyl]amino}-1,3-thiazole-2-carboxylate
CID 46942156
tert-butyl N-(1,3-thiazol-5-yl)carbamate
CID 53432624
tert-butyl N-(2-methyl-1,3-thiazol-5-yl)carbamate
CID 58874065
tert-butyl N-(2-chloro-1,3-thiazol-5-yl)carbamate
CID 71748574
tert-butyl N-(2-(propan-2-yl)-1,3-thiazol-5-yl)carbamate
CID 91647755
tert-Butyl (2-cyclopropylthiazol-5-yl)carbamate
CID 92133067
tert-butyl N-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]carbamate
CID 154729526
tert-butyl N-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]carbamate
CID 155822810
tert-Butyl (2-(trifluoromethyl)thiazol-5-yl)carbamate
CID 92045600
2-[(N-tert-butoxycarbonylglycyl)amino]methylthiazole
CID 22916736
Carbamic acid, [2-[(2-thiazolylcarbonyl)amino]ethyl]-, 1,1-dimethylethyl ester
CID 54427838

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-formyl-1,3-thiazol-5-yl)carbamate?
The IUPAC name of tert-butyl N-(2-formyl-1,3-thiazol-5-yl)carbamate (CID 59503642) is tert-butyl N-(2-formyl-1,3-thiazol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-formyl-1,3-thiazol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-formyl-1,3-thiazol-5-yl)carbamate is CC(C)(C)OC(=O)Nc1cnc(C=O)s1.
What is the InChIKey of tert-butyl N-(2-formyl-1,3-thiazol-5-yl)carbamate?
The InChIKey is GOAYIIHFCXVBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-9(2,3)14-8(13)11-6-4-10-7(5-12)15-6/h4-5H,1-3H3,(H,11,13).
What are the key properties of tert-butyl N-(2-formyl-1,3-thiazol-5-yl)carbamate?
tert-butyl N-(2-formyl-1,3-thiazol-5-yl)carbamate has a molecular weight of 228.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-formyl-1,3-thiazol-5-yl)carbamate is sourced from PubChem (CID 59503642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).