4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]morpholine

C13H13BrN2OS — CID 720656

IUPAC4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]morpholine
SMILESBrc1ccc(-c2csc(N3CCOCC3)n2)cc1
InChIInChI=1S/C13H13BrN2OS/c14-11-3-1-10(2-4-11)12-9-18-13(15-12)16-5-7-17-8-6-16/h1-4,9H,5-8H2
InChIKeyZMYGKCYCJZPXRE-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.41
Rot. Bonds2

About 4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]morpholine

4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]morpholine (PubChem CID 720656) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is 4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]morpholine
PubChem CID720656
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC Name4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]morpholine
SMILESBrc1ccc(-c2csc(N3CCOCC3)n2)cc1
InChIInChI=1S/C13H13BrN2OS/c14-11-3-1-10(2-4-11)12-9-18-13(15-12)16-5-7-17-8-6-16/h1-4,9H,5-8H2
InChIKeyZMYGKCYCJZPXRE-UHFFFAOYSA-N
XLogP3.41
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-Bromophenyl)-2-thiazolyl]-4-piperidinecarboxamide
CID 990823
4-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]morpholine
CID 683402
4-(4-Phenyl-1,3-thiazol-2-yl)morpholine
CID 727584
1-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]azepane
CID 838339
1-(4-Phenyl-1,3-thiazol-2-yl)piperidine
CID 879105
4-(4-Bromophenyl)-2-(Piperidin-1-yl)Thiazole
CID 2900985
4-(4-Bromophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole
CID 2926693
4-(4-Phenyl-1,3-thiazol-2-yl)thiomorpholine
CID 1490776
4-[4-(2,5-Dimethylphenyl)-1,3-thiazol-2-yl]morpholine
CID 23847279
1-[4-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 46907737
4-{4-[3-(Trifluoromethyl)phenyl]-1,3-thiazol-2-yl}morpholine
CID 60471678
4-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]morpholine
CID 1490732

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]morpholine (CID 720656) is 4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]morpholine is Brc1ccc(-c2csc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]morpholine?
The InChIKey is ZMYGKCYCJZPXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c14-11-3-1-10(2-4-11)12-9-18-13(15-12)16-5-7-17-8-6-16/h1-4,9H,5-8H2.
What are the key properties of 4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]morpholine?
4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]morpholine has a molecular weight of 325.23 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 720656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).