5-piperazin-1-yl-1,3-thiazole

C7H11N3S — CID 96739347

IUPAC5-piperazin-1-yl-1,3-thiazole
SMILESc1ncc(N2CCNCC2)s1
InChIInChI=1S/C7H11N3S/c1-3-10(4-2-8-1)7-5-9-6-11-7/h5-6,8H,1-4H2
InChIKeyVEXTWFPILXXIPZ-UHFFFAOYSA-N
MW169.25 g/mol
LogP0.55
Rot. Bonds1

About 5-piperazin-1-yl-1,3-thiazole

5-piperazin-1-yl-1,3-thiazole (PubChem CID 96739347) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 5-piperazin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name5-piperazin-1-yl-1,3-thiazole
PubChem CID96739347
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name5-piperazin-1-yl-1,3-thiazole
SMILESc1ncc(N2CCNCC2)s1
InChIInChI=1S/C7H11N3S/c1-3-10(4-2-8-1)7-5-9-6-11-7/h5-6,8H,1-4H2
InChIKeyVEXTWFPILXXIPZ-UHFFFAOYSA-N
XLogP0.55
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(piperidin-4-ylidenemethyl)-1,3-thiazole
CID 112645499
5-iodo-4-piperazin-1-ylpyrimidine;dihydrochloride
CID 67539377
5-piperazin-1-ylpyrimidine;hydrochloride
CID 69201469
ethane;4-methyl-2-piperazin-1-yl-1,3-thiazole
CID 143994298
1-(3,5-dimethyl-4-pyridinyl)piperazine
CID 75355584
2-piperazin-1-yl-1,3,5-triazine
CID 2760673
5-[(4-fluoropiperidin-4-yl)methyl]-1,3-thiazole
CID 112645695
5-bromo-2-piperazin-1-ylpyrimidine;ethane
CID 143817069
5-[1-(1,4-diazaspiro[5.5]undecan-1-yl)ethyl]-1,3-thiazole
CID 113487011
5-(3,4-diphenylpiperazin-1-yl)-1,3-thiazole
CID 91066270
1-(1,4-diazepan-1-yl)-3-(1,3-thiazol-5-yl)propan-2-one
CID 116565556
5-(1,2,4-triazol-1-yl)-1,3-thiazole
CID 141401341

Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-yl-1,3-thiazole?
The IUPAC name of 5-piperazin-1-yl-1,3-thiazole (CID 96739347) is 5-piperazin-1-yl-1,3-thiazole.
What is the SMILES notation for 5-piperazin-1-yl-1,3-thiazole?
The canonical SMILES for 5-piperazin-1-yl-1,3-thiazole is c1ncc(N2CCNCC2)s1.
What is the InChIKey of 5-piperazin-1-yl-1,3-thiazole?
The InChIKey is VEXTWFPILXXIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-3-10(4-2-8-1)7-5-9-6-11-7/h5-6,8H,1-4H2.
What are the key properties of 5-piperazin-1-yl-1,3-thiazole?
5-piperazin-1-yl-1,3-thiazole has a molecular weight of 169.25 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-yl-1,3-thiazole is sourced from PubChem (CID 96739347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).