tert-butyl N-(5-ethyl-4-methyl-1,3-thiazol-2-yl)carbamate

C11H18N2O2S — CID 86630952

IUPACtert-butyl N-(5-ethyl-4-methyl-1,3-thiazol-2-yl)carbamate
SMILESCCc1sc(NC(=O)OC(C)(C)C)nc1C
InChIInChI=1S/C11H18N2O2S/c1-6-8-7(2)12-9(16-8)13-10(14)15-11(3,4)5/h6H2,1-5H3,(H,12,13,14)
InChIKeyRVBUQVHUFFAFQK-UHFFFAOYSA-N
MW242.34 g/mol
LogP3.36
Rot. Bonds2

About tert-butyl N-(5-ethyl-4-methyl-1,3-thiazol-2-yl)carbamate

tert-butyl N-(5-ethyl-4-methyl-1,3-thiazol-2-yl)carbamate (PubChem CID 86630952) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is tert-butyl N-(5-ethyl-4-methyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-ethyl-4-methyl-1,3-thiazol-2-yl)carbamate
PubChem CID86630952
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Nametert-butyl N-(5-ethyl-4-methyl-1,3-thiazol-2-yl)carbamate
SMILESCCc1sc(NC(=O)OC(C)(C)C)nc1C
InChIInChI=1S/C11H18N2O2S/c1-6-8-7(2)12-9(16-8)13-10(14)15-11(3,4)5/h6H2,1-5H3,(H,12,13,14)
InChIKeyRVBUQVHUFFAFQK-UHFFFAOYSA-N
XLogP3.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-ethyl-4-methyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-(5-ethyl-4-methyl-1,3-thiazol-2-yl)carbamate (CID 86630952) is tert-butyl N-(5-ethyl-4-methyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-ethyl-4-methyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-ethyl-4-methyl-1,3-thiazol-2-yl)carbamate is CCc1sc(NC(=O)OC(C)(C)C)nc1C.
What is the InChIKey of tert-butyl N-(5-ethyl-4-methyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is RVBUQVHUFFAFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-6-8-7(2)12-9(16-8)13-10(14)15-11(3,4)5/h6H2,1-5H3,(H,12,13,14).
What are the key properties of tert-butyl N-(5-ethyl-4-methyl-1,3-thiazol-2-yl)carbamate?
tert-butyl N-(5-ethyl-4-methyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 242.34 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-ethyl-4-methyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 86630952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).