4-(5-fluoro-3-pyridinyl)-2-piperazin-1-yl-1,3-thiazole

C12H13FN4S — CID 114080613

IUPAC4-(5-fluoro-3-pyridinyl)-2-piperazin-1-yl-1,3-thiazole
SMILESFc1cncc(-c2csc(N3CCNCC3)n2)c1
InChIInChI=1S/C12H13FN4S/c13-10-5-9(6-15-7-10)11-8-18-12(16-11)17-3-1-14-2-4-17/h5-8,14H,1-4H2
InChIKeyVKKPZMKJRMZOCB-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.75
Rot. Bonds2

About 4-(5-fluoro-3-pyridinyl)-2-piperazin-1-yl-1,3-thiazole

4-(5-fluoro-3-pyridinyl)-2-piperazin-1-yl-1,3-thiazole (PubChem CID 114080613) has the molecular formula C12H13FN4S and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-(5-fluoro-3-pyridinyl)-2-piperazin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(5-fluoro-3-pyridinyl)-2-piperazin-1-yl-1,3-thiazole
PubChem CID114080613
Molecular FormulaC12H13FN4S
Molecular Weight264.33 g/mol
Exact Mass264.08
IUPAC Name4-(5-fluoro-3-pyridinyl)-2-piperazin-1-yl-1,3-thiazole
SMILESFc1cncc(-c2csc(N3CCNCC3)n2)c1
InChIInChI=1S/C12H13FN4S/c13-10-5-9(6-15-7-10)11-8-18-12(16-11)17-3-1-14-2-4-17/h5-8,14H,1-4H2
InChIKeyVKKPZMKJRMZOCB-UHFFFAOYSA-N
XLogP1.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-piperazin-1-yl-1,3-thiazol-4-yl)benzene-1,3-diol
CID 122668656
5-(5-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253573
2-piperazin-1-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole
CID 53312286
4-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole
CID 166227981
cyclohexyl-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 1438379
1-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 133371083
(4-fluorophenyl)-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanol
CID 133372528
4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
ethane;4-methyl-2-piperazin-1-yl-1,3-thiazole
CID 143994298
N-benzyl-4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-amine
CID 130556959
4-(4-bromo-2-chlorophenyl)-2-piperazin-1-yl-1,3-thiazole
CID 82774541
2-(5-fluoro-3-pyridinyl)-7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine
CID 166059157

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-3-pyridinyl)-2-piperazin-1-yl-1,3-thiazole?
The IUPAC name of 4-(5-fluoro-3-pyridinyl)-2-piperazin-1-yl-1,3-thiazole (CID 114080613) is 4-(5-fluoro-3-pyridinyl)-2-piperazin-1-yl-1,3-thiazole.
What is the SMILES notation for 4-(5-fluoro-3-pyridinyl)-2-piperazin-1-yl-1,3-thiazole?
The canonical SMILES for 4-(5-fluoro-3-pyridinyl)-2-piperazin-1-yl-1,3-thiazole is Fc1cncc(-c2csc(N3CCNCC3)n2)c1.
What is the InChIKey of 4-(5-fluoro-3-pyridinyl)-2-piperazin-1-yl-1,3-thiazole?
The InChIKey is VKKPZMKJRMZOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4S/c13-10-5-9(6-15-7-10)11-8-18-12(16-11)17-3-1-14-2-4-17/h5-8,14H,1-4H2.
What are the key properties of 4-(5-fluoro-3-pyridinyl)-2-piperazin-1-yl-1,3-thiazole?
4-(5-fluoro-3-pyridinyl)-2-piperazin-1-yl-1,3-thiazole has a molecular weight of 264.33 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-3-pyridinyl)-2-piperazin-1-yl-1,3-thiazole is sourced from PubChem (CID 114080613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).