2-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine

C15H14BrN5S — CID 166601649

IUPAC2-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
SMILESBrc1cccnc1N1CCN(c2nc3cnccc3s2)CC1
InChIInChI=1S/C15H14BrN5S/c16-11-2-1-4-18-14(11)20-6-8-21(9-7-20)15-19-12-10-17-5-3-13(12)22-15/h1-5,10H,6-9H2
InChIKeyVFBIWAWUUVXXSO-UHFFFAOYSA-N
MW376.28 g/mol
LogP3.18
Rot. Bonds2

About 2-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine

2-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 166601649) has the molecular formula C15H14BrN5S and a molecular weight of 376.28 g/mol. Its IUPAC name is 2-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
PubChem CID166601649
Molecular FormulaC15H14BrN5S
Molecular Weight376.28 g/mol
Exact Mass375.02
IUPAC Name2-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
SMILESBrc1cccnc1N1CCN(c2nc3cnccc3s2)CC1
InChIInChI=1S/C15H14BrN5S/c16-11-2-1-4-18-14(11)20-6-8-21(9-7-20)15-19-12-10-17-5-3-13(12)22-15/h1-5,10H,6-9H2
InChIKeyVFBIWAWUUVXXSO-UHFFFAOYSA-N
XLogP3.18
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 166605628
2-(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)-1,3-benzothiazole
CID 155975559
2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 171702430
2-[2-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 155975188
2-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 163357343
3-bromo-2-pyrrolidin-1-ylpyridine
CID 46739525
5-(3-bromo-2-pyridinyl)-1,2,5-dithiazepane
CID 131101938
cyclopropyl-[4-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,4-diazepan-1-yl]methanone
CID 165435144
2-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 154853618
2-[3-(triazol-2-yl)azetidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 146079856
2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 154882869
2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 154830114

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 2-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine (CID 166601649) is 2-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 2-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 2-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine is Brc1cccnc1N1CCN(c2nc3cnccc3s2)CC1.
What is the InChIKey of 2-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is VFBIWAWUUVXXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5S/c16-11-2-1-4-18-14(11)20-6-8-21(9-7-20)15-19-12-10-17-5-3-13(12)22-15/h1-5,10H,6-9H2.
What are the key properties of 2-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
2-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 376.28 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 166601649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).