tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-methylcarbamate

C10H15BrN2O2S — CID 166661288

IUPACtert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-methylcarbamate
SMILESCc1nc(N(C)C(=O)OC(C)(C)C)sc1Br
InChIInChI=1S/C10H15BrN2O2S/c1-6-7(11)16-8(12-6)13(5)9(14)15-10(2,3)4/h1-5H3
InChIKeyYQIBIKTYXYLPFZ-UHFFFAOYSA-N
MW307.21 g/mol
LogP3.59
Rot. Bonds1

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

tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-methylcarbamate (PubChem CID 166661288) has the molecular formula C10H15BrN2O2S and a molecular weight of 307.21 g/mol. Its IUPAC name is tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-methylcarbamate
PubChem CID166661288
Molecular FormulaC10H15BrN2O2S
Molecular Weight307.21 g/mol
Exact Mass306.00
IUPAC Nametert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-methylcarbamate
SMILESCc1nc(N(C)C(=O)OC(C)(C)C)sc1Br
InChIInChI=1S/C10H15BrN2O2S/c1-6-7(11)16-8(12-6)13(5)9(14)15-10(2,3)4/h1-5H3
InChIKeyYQIBIKTYXYLPFZ-UHFFFAOYSA-N
XLogP3.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-methylcarbamate (CID 166661288) is tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-methylcarbamate is Cc1nc(N(C)C(=O)OC(C)(C)C)sc1Br.
What is the InChIKey of tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-methylcarbamate?
The InChIKey is YQIBIKTYXYLPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S/c1-6-7(11)16-8(12-6)13(5)9(14)15-10(2,3)4/h1-5H3.
What are the key properties of tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-methylcarbamate?
tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-methylcarbamate has a molecular weight of 307.21 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-N-methylcarbamate is sourced from PubChem (CID 166661288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).