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

C11H18N2O2S — CID 103653466

IUPACtert-butyl N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate
SMILESCc1nc(CCNC(=O)OC(C)(C)C)cs1
InChIInChI=1S/C11H18N2O2S/c1-8-13-9(7-16-8)5-6-12-10(14)15-11(2,3)4/h7H,5-6H2,1-4H3,(H,12,14)
InChIKeyVOTPDFOZOYAPNX-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.52
Rot. Bonds3

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

tert-butyl N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate (PubChem CID 103653466) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is tert-butyl N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate
PubChem CID103653466
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Nametert-butyl N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate
SMILESCc1nc(CCNC(=O)OC(C)(C)C)cs1
InChIInChI=1S/C11H18N2O2S/c1-8-13-9(7-16-8)5-6-12-10(14)15-11(2,3)4/h7H,5-6H2,1-4H3,(H,12,14)
InChIKeyVOTPDFOZOYAPNX-UHFFFAOYSA-N
XLogP2.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoylamino]ethyl]carbamate
CID 53617913
tert-butyl N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate
CID 53624906
tert-butyl N-((4-(aminomethyl)-1,3-thiazol-2-yl)methyl)carbamate
CID 83300651
tert-butyl N-{[2-(aminomethyl)-1,3-thiazol-4-yl]methyl}carbamate
CID 83671482
tert-butyl N-[2-(2-bromo-1,3-thiazol-4-yl)ethyl]carbamate
CID 86811766
tert-butyl N-{2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl}carbamate
CID 170912366
tert-butyl N-[(S)-cyano-(2-methyl-1,3-thiazol-4-yl)methyl]carbamate
CID 97184352
ethyl (3S)-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 125438150
tert-butyl N-[3-(4-methyl-1,3-thiazol-2-yl)prop-2-yn-1-yl]carbamate
CID 131701555
2-(tert-Butoxycarbonylamino)methyl-4-fluoromethylthiazole
CID 22916662
tert-butyl N-[[1-[4-(trifluoromethyl)thiazol-2-yl]cyclopropyl]methyl]carbamate
CID 89544716
tert-butyl N-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 130441254

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate (CID 103653466) is tert-butyl N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate is Cc1nc(CCNC(=O)OC(C)(C)C)cs1.
What is the InChIKey of tert-butyl N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate?
The InChIKey is VOTPDFOZOYAPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-8-13-9(7-16-8)5-6-12-10(14)15-11(2,3)4/h7H,5-6H2,1-4H3,(H,12,14).
What are the key properties of tert-butyl N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate?
tert-butyl N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate has a molecular weight of 242.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate is sourced from PubChem (CID 103653466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).