[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-thiomorpholin-3-ylmethanone

C14H19BrN4OS — CID 82897958

IUPAC[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-thiomorpholin-3-ylmethanone
SMILESO=C(C1CSCCN1)N1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C14H19BrN4OS/c15-11-1-2-13(17-9-11)18-4-6-19(7-5-18)14(20)12-10-21-8-3-16-12/h1-2,9,12,16H,3-8,10H2
InChIKeyQCSWERVFPUQIAE-UHFFFAOYSA-N
MW371.30 g/mol
LogP1.20
Rot. Bonds2

About [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-thiomorpholin-3-ylmethanone

[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-thiomorpholin-3-ylmethanone (PubChem CID 82897958) has the molecular formula C14H19BrN4OS and a molecular weight of 371.30 g/mol. Its IUPAC name is [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-thiomorpholin-3-ylmethanone.

Molecular Properties

Compound Name[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-thiomorpholin-3-ylmethanone
PubChem CID82897958
Molecular FormulaC14H19BrN4OS
Molecular Weight371.30 g/mol
Exact Mass370.05
IUPAC Name[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-thiomorpholin-3-ylmethanone
SMILESO=C(C1CSCCN1)N1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C14H19BrN4OS/c15-11-1-2-13(17-9-11)18-4-6-19(7-5-18)14(20)12-10-21-8-3-16-12/h1-2,9,12,16H,3-8,10H2
InChIKeyQCSWERVFPUQIAE-UHFFFAOYSA-N
XLogP1.20
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941169
(4-aminocyclopent-2-en-1-yl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone
CID 79209504
(3-aminocyclopentyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone
CID 66009179
[(1R,2R)-2-aminocyclopentyl]-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone
CID 124510949
[(1S,2R)-2-aminocyclopentyl]-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone
CID 124510950
2-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 60945383
(2-aminophenyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
CID 119946518
1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 54871341
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 103813525
[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-(1-prop-2-ynylpiperidin-2-yl)methanone
CID 55930430
[1-(5-bromo-2-pyridinyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 172880789
3-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one
CID 62668903

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-thiomorpholin-3-ylmethanone?
The IUPAC name of [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-thiomorpholin-3-ylmethanone (CID 82897958) is [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-thiomorpholin-3-ylmethanone.
What is the SMILES notation for [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-thiomorpholin-3-ylmethanone?
The canonical SMILES for [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-thiomorpholin-3-ylmethanone is O=C(C1CSCCN1)N1CCN(c2ccc(Br)cn2)CC1.
What is the InChIKey of [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-thiomorpholin-3-ylmethanone?
The InChIKey is QCSWERVFPUQIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4OS/c15-11-1-2-13(17-9-11)18-4-6-19(7-5-18)14(20)12-10-21-8-3-16-12/h1-2,9,12,16H,3-8,10H2.
What are the key properties of [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-thiomorpholin-3-ylmethanone?
[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-thiomorpholin-3-ylmethanone has a molecular weight of 371.30 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-thiomorpholin-3-ylmethanone is sourced from PubChem (CID 82897958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).