tert-butyl 2-(4-bromo-1,3-thiazol-2-yl)morpholine-4-carboxylate

C12H17BrN2O3S — CID 172992024

IUPACtert-butyl 2-(4-bromo-1,3-thiazol-2-yl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(c2nc(Br)cs2)C1
InChIInChI=1S/C12H17BrN2O3S/c1-12(2,3)18-11(16)15-4-5-17-8(6-15)10-14-9(13)7-19-10/h7-8H,4-6H2,1-3H3
InChIKeyFHKORRIPMMJHPC-UHFFFAOYSA-N
MW349.25 g/mol
LogP3.21
Rot. Bonds1

About tert-butyl 2-(4-bromo-1,3-thiazol-2-yl)morpholine-4-carboxylate

tert-butyl 2-(4-bromo-1,3-thiazol-2-yl)morpholine-4-carboxylate (PubChem CID 172992024) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is tert-butyl 2-(4-bromo-1,3-thiazol-2-yl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(4-bromo-1,3-thiazol-2-yl)morpholine-4-carboxylate
PubChem CID172992024
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC Nametert-butyl 2-(4-bromo-1,3-thiazol-2-yl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(c2nc(Br)cs2)C1
InChIInChI=1S/C12H17BrN2O3S/c1-12(2,3)18-11(16)15-4-5-17-8(6-15)10-14-9(13)7-19-10/h7-8H,4-6H2,1-3H3
InChIKeyFHKORRIPMMJHPC-UHFFFAOYSA-N
XLogP3.21
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl 4-(4-bromo-1,3-thiazol-2-yl)-4-hydroxypiperidine-1-carboxylate
CID 66749307
tert-Butyl 4-((4-bromothiazol-2-yl)oxy)piperidine-1-carboxylate
CID 86696185
Tert-butyl 3-(4-bromo-1,3-thiazol-2-yl)-3-hydroxyazetidine-1-carboxylate
CID 114684347
Tert-butyl 3-[(4-bromo-1,3-thiazol-2-yl)oxy]azetidine-1-carboxylate
CID 167187555
Tert-butyl 2-(4-bromo-1,3-thiazol-2-yl)-2-hydroxymorpholine-4-carboxylate
CID 177329428
2-(N-Boc-Morpholin-2-yl)thiazole-4-boronic acid pinacol ester
CID 133550747
Tert-butyl 4-(4-bromothiazol-2-yl)piperidine-1-carboxylate
CID 133553072
4-Bromo-2-(N-Boc-piperidin-3-yl)thiazole
CID 133554149
Tert-butyl 6-(4-bromo-1,3-thiazol-2-yl)-6-hydroxy-1,4-oxazepane-4-carboxylate
CID 165739348
Tert-butyl 3-(4-bromo-1,3-thiazol-2-yl)-3-hydroxypiperidine-1-carboxylate
CID 165739349
Tert-butyl 4-(4-bromo-1,3-thiazol-2-yl)-4-hydroxy-1,2-oxazinane-2-carboxylate
CID 165739522
Tert-butyl 4-(4-bromothiazol-2-yl-5-d)piperidine-1-carboxylate-2,2,3,3,4,5,5,6,6-d9
CID 172403259

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-bromo-1,3-thiazol-2-yl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-(4-bromo-1,3-thiazol-2-yl)morpholine-4-carboxylate (CID 172992024) is tert-butyl 2-(4-bromo-1,3-thiazol-2-yl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-(4-bromo-1,3-thiazol-2-yl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-(4-bromo-1,3-thiazol-2-yl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(c2nc(Br)cs2)C1.
What is the InChIKey of tert-butyl 2-(4-bromo-1,3-thiazol-2-yl)morpholine-4-carboxylate?
The InChIKey is FHKORRIPMMJHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c1-12(2,3)18-11(16)15-4-5-17-8(6-15)10-14-9(13)7-19-10/h7-8H,4-6H2,1-3H3.
What are the key properties of tert-butyl 2-(4-bromo-1,3-thiazol-2-yl)morpholine-4-carboxylate?
tert-butyl 2-(4-bromo-1,3-thiazol-2-yl)morpholine-4-carboxylate has a molecular weight of 349.25 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-bromo-1,3-thiazol-2-yl)morpholine-4-carboxylate is sourced from PubChem (CID 172992024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).