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

C11H18N2O2S — CID 69150108

IUPACtert-butyl N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)carbamate
SMILESCCN(C(=O)OC(C)(C)C)c1nc(C)cs1
InChIInChI=1S/C11H18N2O2S/c1-6-13(9-12-8(2)7-16-9)10(14)15-11(3,4)5/h7H,6H2,1-5H3
InChIKeyLMKRNOGIULMRDS-UHFFFAOYSA-N
MW242.34 g/mol
LogP3.21
Rot. Bonds2

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

tert-butyl N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)carbamate (PubChem CID 69150108) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)carbamate
PubChem CID69150108
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Nametert-butyl N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)carbamate
SMILESCCN(C(=O)OC(C)(C)C)c1nc(C)cs1
InChIInChI=1S/C11H18N2O2S/c1-6-13(9-12-8(2)7-16-9)10(14)15-11(3,4)5/h7H,6H2,1-5H3
InChIKeyLMKRNOGIULMRDS-UHFFFAOYSA-N
XLogP3.21
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)carbamate (CID 69150108) is tert-butyl N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)carbamate is CCN(C(=O)OC(C)(C)C)c1nc(C)cs1.
What is the InChIKey of tert-butyl N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is LMKRNOGIULMRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-6-13(9-12-8(2)7-16-9)10(14)15-11(3,4)5/h7H,6H2,1-5H3.
What are the key properties of tert-butyl N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)carbamate?
tert-butyl N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 242.34 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 69150108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).