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

C11H16N2O3S — CID 165464791

IUPACtert-butyl N-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate
SMILESCc1nc(C(=O)CNC(=O)OC(C)(C)C)cs1
InChIInChI=1S/C11H16N2O3S/c1-7-13-8(6-17-7)9(14)5-12-10(15)16-11(2,3)4/h6H,5H2,1-4H3,(H,12,15)
InChIKeyPUGFAXBVUBDVKQ-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.16
Rot. Bonds3

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

tert-butyl N-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate (PubChem CID 165464791) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is tert-butyl N-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate
PubChem CID165464791
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Nametert-butyl N-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate
SMILESCc1nc(C(=O)CNC(=O)OC(C)(C)C)cs1
InChIInChI=1S/C11H16N2O3S/c1-7-13-8(6-17-7)9(14)5-12-10(15)16-11(2,3)4/h6H,5H2,1-4H3,(H,12,15)
InChIKeyPUGFAXBVUBDVKQ-UHFFFAOYSA-N
XLogP2.16
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-(2-methyl-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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate (CID 165464791) is tert-butyl N-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate is Cc1nc(C(=O)CNC(=O)OC(C)(C)C)cs1.
What is the InChIKey of tert-butyl N-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate?
The InChIKey is PUGFAXBVUBDVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7-13-8(6-17-7)9(14)5-12-10(15)16-11(2,3)4/h6H,5H2,1-4H3,(H,12,15).
What are the key properties of tert-butyl N-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate?
tert-butyl N-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate has a molecular weight of 256.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 165464791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).