4-[4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-yl]morpholine

C12H12BrN3OS — CID 122154769

IUPAC4-[4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-yl]morpholine
SMILESBrc1ccc(-c2csc(N3CCOCC3)n2)nc1
InChIInChI=1S/C12H12BrN3OS/c13-9-1-2-10(14-7-9)11-8-18-12(15-11)16-3-5-17-6-4-16/h1-2,7-8H,3-6H2
InChIKeyPOEOYBMJMJRCTJ-UHFFFAOYSA-N
MW326.22 g/mol
LogP2.80
Rot. Bonds2

About 4-[4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-yl]morpholine

4-[4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-yl]morpholine (PubChem CID 122154769) has the molecular formula C12H12BrN3OS and a molecular weight of 326.22 g/mol. Its IUPAC name is 4-[4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-yl]morpholine
PubChem CID122154769
Molecular FormulaC12H12BrN3OS
Molecular Weight326.22 g/mol
Exact Mass324.99
IUPAC Name4-[4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-yl]morpholine
SMILESBrc1ccc(-c2csc(N3CCOCC3)n2)nc1
InChIInChI=1S/C12H12BrN3OS/c13-9-1-2-10(14-7-9)11-8-18-12(15-11)16-3-5-17-6-4-16/h1-2,7-8H,3-6H2
InChIKeyPOEOYBMJMJRCTJ-UHFFFAOYSA-N
XLogP2.80
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine;hydrochloride
CID 72720133
4-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]morpholine
CID 174341504
4-[4-(3-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]morpholine
CID 122154747
4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-amine;dihydrobromide
CID 102555190
5-bromo-2-(5-bromo-2-pyridinyl)pyridine
CID 10903103
4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]morpholine
CID 167843609
2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)aniline
CID 167513347
4-[4-(3-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]morpholine
CID 32951384
2-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione
CID 168518477
4-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]morpholine
CID 43001422
(2-morpholin-4-yl-1,3-thiazol-4-yl)boronic acid
CID 66632378
4-[4-[1-(3-methylphenyl)triazol-4-yl]-1,3-thiazol-2-yl]morpholine
CID 166230979

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-yl]morpholine (CID 122154769) is 4-[4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-yl]morpholine is Brc1ccc(-c2csc(N3CCOCC3)n2)nc1.
What is the InChIKey of 4-[4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-yl]morpholine?
The InChIKey is POEOYBMJMJRCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3OS/c13-9-1-2-10(14-7-9)11-8-18-12(15-11)16-3-5-17-6-4-16/h1-2,7-8H,3-6H2.
What are the key properties of 4-[4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-yl]morpholine?
4-[4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-yl]morpholine has a molecular weight of 326.22 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 122154769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).