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

C11H17BrN2O2S — CID 58688351

IUPACtert-butyl N-(5-bromo-1,3-thiazol-2-yl)-N-propan-2-ylcarbamate
SMILESCC(C)N(C(=O)OC(C)(C)C)c1ncc(Br)s1
InChIInChI=1S/C11H17BrN2O2S/c1-7(2)14(9-13-6-8(12)17-9)10(15)16-11(3,4)5/h6-7H,1-5H3
InChIKeyLQLHUMILSVQBCA-UHFFFAOYSA-N
MW321.24 g/mol
LogP4.06
Rot. Bonds2

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

tert-butyl N-(5-bromo-1,3-thiazol-2-yl)-N-propan-2-ylcarbamate (PubChem CID 58688351) has the molecular formula C11H17BrN2O2S and a molecular weight of 321.24 g/mol. Its IUPAC name is tert-butyl N-(5-bromo-1,3-thiazol-2-yl)-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(5-bromo-1,3-thiazol-2-yl)-N-propan-2-ylcarbamate
PubChem CID58688351
Molecular FormulaC11H17BrN2O2S
Molecular Weight321.24 g/mol
Exact Mass320.02
IUPAC Nametert-butyl N-(5-bromo-1,3-thiazol-2-yl)-N-propan-2-ylcarbamate
SMILESCC(C)N(C(=O)OC(C)(C)C)c1ncc(Br)s1
InChIInChI=1S/C11H17BrN2O2S/c1-7(2)14(9-13-6-8(12)17-9)10(15)16-11(3,4)5/h6-7H,1-5H3
InChIKeyLQLHUMILSVQBCA-UHFFFAOYSA-N
XLogP4.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.24
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(5-bromo-1,3-thiazol-2-yl)carbamate
CID 21300388
Tert-butyl isopropyl(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiazol-2-yl)carbamate
CID 58688452
Methyl-(5-tributylstannanylthiazol-2-yl)carbamic acid tert-butyl ester
CID 15461517
N-Boc-N-sem-2-amino-5-bromothiazole
CID 134126758
Tert-butyl 3-[(5-fluoro-1,3-thiazol-2-yl)-methylamino]azetidine-1-carboxylate
CID 66862699
N-(5-Bromothiazol-2-YL)zazbis(biscarbonic acid bis-1,1-dimethylethyl ester
CID 11234324
tert-butyl N-(5-bromo-1,3-thiazol-2-yl)-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate
CID 11385425
tert-butyl N-[3-[(5-bromo-1,3-thiazol-2-yl)amino]-3-oxopropyl]carbamate
CID 22170488
Tert-butyl 4-(5-bromo-1,3-thiazol-2-yl)piperazine-1-carboxylate
CID 34180719
Tert-butyl 3-[(5-bromo-1,3-thiazol-2-yl)amino]pyrrolidine-1-carboxylate
CID 58185475
Tert-butyl isopropyl(5-(tributylstannyl)thiazol-2-yl)carbamate
CID 58207969
Tert-butyl isopropyl(thiazol-2-yl)carbamate
CID 58207984

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-bromo-1,3-thiazol-2-yl)-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-(5-bromo-1,3-thiazol-2-yl)-N-propan-2-ylcarbamate (CID 58688351) is tert-butyl N-(5-bromo-1,3-thiazol-2-yl)-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-(5-bromo-1,3-thiazol-2-yl)-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-(5-bromo-1,3-thiazol-2-yl)-N-propan-2-ylcarbamate is CC(C)N(C(=O)OC(C)(C)C)c1ncc(Br)s1.
What is the InChIKey of tert-butyl N-(5-bromo-1,3-thiazol-2-yl)-N-propan-2-ylcarbamate?
The InChIKey is LQLHUMILSVQBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S/c1-7(2)14(9-13-6-8(12)17-9)10(15)16-11(3,4)5/h6-7H,1-5H3.
What are the key properties of tert-butyl N-(5-bromo-1,3-thiazol-2-yl)-N-propan-2-ylcarbamate?
tert-butyl N-(5-bromo-1,3-thiazol-2-yl)-N-propan-2-ylcarbamate has a molecular weight of 321.24 g/mol, XLogP of 4.06, 2 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-1,3-thiazol-2-yl)-N-propan-2-ylcarbamate is sourced from PubChem (CID 58688351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).