Tert-butyl 5-bromothiazol-2-yl(isopropyl)carbamate

C11H17BrN2O2S — CID 58688351

IUPACtert-butyl N-(5-bromo-1,3-thiazol-2-yl)-N-propan-2-ylcarbamate
SMILESCC(C)N(C1=NC=C(S1)Br)C(=O)OC(C)(C)C
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
LogP3.90
Rot. Bonds4

About Tert-butyl 5-bromothiazol-2-yl(isopropyl)carbamate

Tert-butyl 5-bromothiazol-2-yl(isopropyl)carbamate (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 5-bromothiazol-2-yl(isopropyl)carbamate
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(C1=NC=C(S1)Br)C(=O)OC(C)(C)C
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
XLogP3.90
TPSA70.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity281

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.24
LogP ≤ 53.90
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 5-bromothiazol-2-yl(isopropyl)carbamate?
The IUPAC name of Tert-butyl 5-bromothiazol-2-yl(isopropyl)carbamate (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 5-bromothiazol-2-yl(isopropyl)carbamate?
The canonical SMILES for Tert-butyl 5-bromothiazol-2-yl(isopropyl)carbamate is CC(C)N(C1=NC=C(S1)Br)C(=O)OC(C)(C)C.
What is the InChIKey of Tert-butyl 5-bromothiazol-2-yl(isopropyl)carbamate?
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 5-bromothiazol-2-yl(isopropyl)carbamate?
Tert-butyl 5-bromothiazol-2-yl(isopropyl)carbamate has a molecular weight of 321.24 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl 5-bromothiazol-2-yl(isopropyl)carbamate is sourced from PubChem (CID 58688351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).