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

C9H13BrN2O2S — CID 45117836

IUPACtert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate
SMILESCc1nc(NC(=O)OC(C)(C)C)sc1Br
InChIInChI=1S/C9H13BrN2O2S/c1-5-6(10)15-7(11-5)12-8(13)14-9(2,3)4/h1-4H3,(H,11,12,13)
InChIKeyNTMZSJJTWSSRRG-UHFFFAOYSA-N
MW293.19 g/mol
LogP3.56
Rot. Bonds1

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

tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate (PubChem CID 45117836) has the molecular formula C9H13BrN2O2S and a molecular weight of 293.19 g/mol. Its IUPAC name is tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate
PubChem CID45117836
Molecular FormulaC9H13BrN2O2S
Molecular Weight293.19 g/mol
Exact Mass291.99
IUPAC Nametert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate
SMILESCc1nc(NC(=O)OC(C)(C)C)sc1Br
InChIInChI=1S/C9H13BrN2O2S/c1-5-6(10)15-7(11-5)12-8(13)14-9(2,3)4/h1-4H3,(H,11,12,13)
InChIKeyNTMZSJJTWSSRRG-UHFFFAOYSA-N
XLogP3.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
CID 45117839
Tert-butyl (5-fluoro-4-methylthiazol-2-yl)carbamate
CID 45117835
t-Butyl [4-(fluoromethyl)-1,3-thiazol-2-yl]carbamate
CID 59570990
tert-Butyl (5-bromo-4-(trifluoromethyl)thiazol-2-yl)carbamate
CID 167193060
tert-Butyl (5-bromo-4-(trifluoromethyl)thiazol-2-yl)(methyl)carbamate
CID 168445284
tert-butyl N-[5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
CID 165921596
tert-Butyl (4-(bromomethyl)thiazol-2-yl)carbamate
CID 25219566
Tert-butyl (5-bromo-4-cyanothiazol-2-YL)carbamate
CID 45117848
Tert-butyl (5-bromo-4-cyclopropylthiazol-2-YL)carbamate
CID 45117858
tert-butyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate
CID 57855241
tert-butyl N-[5-(bromomethyl)-4-methyl-1,3-thiazol-2-yl]carbamate
CID 58327488
tert-Butyl 5-bromo-4-(methoxymethyl)thiazol-2-ylcarbamate
CID 58488183

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate (CID 45117836) is tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate is Cc1nc(NC(=O)OC(C)(C)C)sc1Br.
What is the InChIKey of tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is NTMZSJJTWSSRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2S/c1-5-6(10)15-7(11-5)12-8(13)14-9(2,3)4/h1-4H3,(H,11,12,13).
What are the key properties of tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate?
tert-butyl N-(5-bromo-4-methyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 293.19 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 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)carbamate is sourced from PubChem (CID 45117836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).