tert-butyl N-(2-bromo-1,3-thiazol-5-yl)-N-ethylcarbamate

C10H15BrN2O2S — CID 66645331

IUPACtert-butyl N-(2-bromo-1,3-thiazol-5-yl)-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)c1cnc(Br)s1
InChIInChI=1S/C10H15BrN2O2S/c1-5-13(7-6-12-8(11)16-7)9(14)15-10(2,3)4/h6H,5H2,1-4H3
InChIKeyQWHYBJAMGLSTKM-UHFFFAOYSA-N
MW307.21 g/mol
LogP3.67
Rot. Bonds2

About tert-butyl N-(2-bromo-1,3-thiazol-5-yl)-N-ethylcarbamate

tert-butyl N-(2-bromo-1,3-thiazol-5-yl)-N-ethylcarbamate (PubChem CID 66645331) has the molecular formula C10H15BrN2O2S and a molecular weight of 307.21 g/mol. Its IUPAC name is tert-butyl N-(2-bromo-1,3-thiazol-5-yl)-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-bromo-1,3-thiazol-5-yl)-N-ethylcarbamate
PubChem CID66645331
Molecular FormulaC10H15BrN2O2S
Molecular Weight307.21 g/mol
Exact Mass306.00
IUPAC Nametert-butyl N-(2-bromo-1,3-thiazol-5-yl)-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)c1cnc(Br)s1
InChIInChI=1S/C10H15BrN2O2S/c1-5-13(7-6-12-8(11)16-7)9(14)15-10(2,3)4/h6H,5H2,1-4H3
InChIKeyQWHYBJAMGLSTKM-UHFFFAOYSA-N
XLogP3.67
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-bromo-1,3-thiazol-5-yl)carbamate
CID 46911876
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 (2R)-2-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperazine-1-carboxylate
CID 134165322
2-[(2-Methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetic acid
CID 22135181
tert-Butyl 4-(thiazol-2-ylmethyl)piperazine-1-carboxylate
CID 57897237
Di(tert-butyl) 2-bromo-1,3-thiazol-5-ylimidodicarbonate
CID 59580599
(2-Bromo-1,3-thiazol-5-yl)-methylcarbamic acid
CID 66645289
tert-butyl N-methyl-N-(1,3-thiazol-5-yl)carbamate
CID 67972333
(2-Bromo-thiazol-5-yl)-methyl-carbamic acid tert-butyl ester
CID 68767163
CID 89208249
CID 89208249

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-bromo-1,3-thiazol-5-yl)-N-ethylcarbamate?
The IUPAC name of tert-butyl N-(2-bromo-1,3-thiazol-5-yl)-N-ethylcarbamate (CID 66645331) is tert-butyl N-(2-bromo-1,3-thiazol-5-yl)-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-(2-bromo-1,3-thiazol-5-yl)-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-(2-bromo-1,3-thiazol-5-yl)-N-ethylcarbamate is CCN(C(=O)OC(C)(C)C)c1cnc(Br)s1.
What is the InChIKey of tert-butyl N-(2-bromo-1,3-thiazol-5-yl)-N-ethylcarbamate?
The InChIKey is QWHYBJAMGLSTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S/c1-5-13(7-6-12-8(11)16-7)9(14)15-10(2,3)4/h6H,5H2,1-4H3.
What are the key properties of tert-butyl N-(2-bromo-1,3-thiazol-5-yl)-N-ethylcarbamate?
tert-butyl N-(2-bromo-1,3-thiazol-5-yl)-N-ethylcarbamate has a molecular weight of 307.21 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-bromo-1,3-thiazol-5-yl)-N-ethylcarbamate is sourced from PubChem (CID 66645331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).