5-bromo-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole

C13H15BrN4S — CID 120910696

IUPAC5-bromo-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESBrc1cnc(CN2CCNCC2c2ccncc2)s1
InChIInChI=1S/C13H15BrN4S/c14-12-8-17-13(19-12)9-18-6-5-16-7-11(18)10-1-3-15-4-2-10/h1-4,8,11,16H,5-7,9H2
InChIKeyFPANZKBEBFKPNR-UHFFFAOYSA-N
MW339.26 g/mol
LogP2.45
Rot. Bonds3

About 5-bromo-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole

5-bromo-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 120910696) has the molecular formula C13H15BrN4S and a molecular weight of 339.26 g/mol. Its IUPAC name is 5-bromo-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID120910696
Molecular FormulaC13H15BrN4S
Molecular Weight339.26 g/mol
Exact Mass338.02
IUPAC Name5-bromo-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESBrc1cnc(CN2CCNCC2c2ccncc2)s1
InChIInChI=1S/C13H15BrN4S/c14-12-8-17-13(19-12)9-18-6-5-16-7-11(18)10-1-3-15-4-2-10/h1-4,8,11,16H,5-7,9H2
InChIKeyFPANZKBEBFKPNR-UHFFFAOYSA-N
XLogP2.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120910056
1-[(5-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910009
2-cyclopentyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120909919
1-[(4-bromothiophen-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910228
1-[(2-bromophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910651
2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride
CID 120910611
N,N-diethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120910469
2-(5-methylfuran-2-yl)-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120910331
1-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpiperazine
CID 120910371
1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910126
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine
CID 120910181
N,N-dimethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]pyrimidin-2-amine;hydrochloride
CID 120910581

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-bromo-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole (CID 120910696) is 5-bromo-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-bromo-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole is Brc1cnc(CN2CCNCC2c2ccncc2)s1.
What is the InChIKey of 5-bromo-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is FPANZKBEBFKPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4S/c14-12-8-17-13(19-12)9-18-6-5-16-7-11(18)10-1-3-15-4-2-10/h1-4,8,11,16H,5-7,9H2.
What are the key properties of 5-bromo-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole?
5-bromo-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 339.26 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 120910696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).