2-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-1,3-thiazole

C14H17BrN4S — CID 133476367

IUPAC2-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-1,3-thiazole
SMILESCC(c1nccs1)N1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C14H17BrN4S/c1-11(14-16-4-9-20-14)18-5-7-19(8-6-18)13-3-2-12(15)10-17-13/h2-4,9-11H,5-8H2,1H3
InChIKeyKWFQAHZIHFWKQR-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.18
Rot. Bonds3

About 2-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-1,3-thiazole

2-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-1,3-thiazole (PubChem CID 133476367) has the molecular formula C14H17BrN4S and a molecular weight of 353.29 g/mol. Its IUPAC name is 2-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-1,3-thiazole
PubChem CID133476367
Molecular FormulaC14H17BrN4S
Molecular Weight353.29 g/mol
Exact Mass352.04
IUPAC Name2-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-1,3-thiazole
SMILESCC(c1nccs1)N1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C14H17BrN4S/c1-11(14-16-4-9-20-14)18-5-7-19(8-6-18)13-3-2-12(15)10-17-13/h2-4,9-11H,5-8H2,1H3
InChIKeyKWFQAHZIHFWKQR-UHFFFAOYSA-N
XLogP3.18
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476665
2-[1-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476366
2-[1-[4-(1-chloroisoquinolin-3-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476539
6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 133476331
4-chloro-6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrimidin-2-amine
CID 133476730
5-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-3-butyl-1,2,4-oxadiazole
CID 55682175
2-[1-[4-(3-bromo-5-nitro-4-pyridinyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476609
2-[1-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476555
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine
CID 63339651
2-[1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476438
2-[1-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476612
1-(5-bromo-2-pyridinyl)-4-methyl-1,4-diazepane
CID 59292213

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-1,3-thiazole?
The IUPAC name of 2-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-1,3-thiazole (CID 133476367) is 2-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 2-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-1,3-thiazole is CC(c1nccs1)N1CCN(c2ccc(Br)cn2)CC1.
What is the InChIKey of 2-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-1,3-thiazole?
The InChIKey is KWFQAHZIHFWKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4S/c1-11(14-16-4-9-20-14)18-5-7-19(8-6-18)13-3-2-12(15)10-17-13/h2-4,9-11H,5-8H2,1H3.
What are the key properties of 2-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-1,3-thiazole?
2-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-1,3-thiazole has a molecular weight of 353.29 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 133476367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).