2-(3-fluoro-6-piperazin-1-yl-2-pyridinyl)-5-methyl-1,3,4-thiadiazole

C12H14FN5S — CID 166859235

IUPAC2-(3-fluoro-6-piperazin-1-yl-2-pyridinyl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(-c2nc(N3CCNCC3)ccc2F)s1
InChIInChI=1S/C12H14FN5S/c1-8-16-17-12(19-8)11-9(13)2-3-10(15-11)18-6-4-14-5-7-18/h2-3,14H,4-7H2,1H3
InChIKeyIROXECUPMUPIJI-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.46
Rot. Bonds2

About 2-(3-fluoro-6-piperazin-1-yl-2-pyridinyl)-5-methyl-1,3,4-thiadiazole

2-(3-fluoro-6-piperazin-1-yl-2-pyridinyl)-5-methyl-1,3,4-thiadiazole (PubChem CID 166859235) has the molecular formula C12H14FN5S and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(3-fluoro-6-piperazin-1-yl-2-pyridinyl)-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3-fluoro-6-piperazin-1-yl-2-pyridinyl)-5-methyl-1,3,4-thiadiazole
PubChem CID166859235
Molecular FormulaC12H14FN5S
Molecular Weight279.34 g/mol
Exact Mass279.10
IUPAC Name2-(3-fluoro-6-piperazin-1-yl-2-pyridinyl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(-c2nc(N3CCNCC3)ccc2F)s1
InChIInChI=1S/C12H14FN5S/c1-8-16-17-12(19-8)11-9(13)2-3-10(15-11)18-6-4-14-5-7-18/h2-3,14H,4-7H2,1H3
InChIKeyIROXECUPMUPIJI-UHFFFAOYSA-N
XLogP1.46
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-6-piperazin-1-yl-2-pyridinyl)-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-(3-fluoro-6-piperazin-1-yl-2-pyridinyl)-5-methyl-1,3,4-thiadiazole (CID 166859235) is 2-(3-fluoro-6-piperazin-1-yl-2-pyridinyl)-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3-fluoro-6-piperazin-1-yl-2-pyridinyl)-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(3-fluoro-6-piperazin-1-yl-2-pyridinyl)-5-methyl-1,3,4-thiadiazole is Cc1nnc(-c2nc(N3CCNCC3)ccc2F)s1.
What is the InChIKey of 2-(3-fluoro-6-piperazin-1-yl-2-pyridinyl)-5-methyl-1,3,4-thiadiazole?
The InChIKey is IROXECUPMUPIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5S/c1-8-16-17-12(19-8)11-9(13)2-3-10(15-11)18-6-4-14-5-7-18/h2-3,14H,4-7H2,1H3.
What are the key properties of 2-(3-fluoro-6-piperazin-1-yl-2-pyridinyl)-5-methyl-1,3,4-thiadiazole?
2-(3-fluoro-6-piperazin-1-yl-2-pyridinyl)-5-methyl-1,3,4-thiadiazole has a molecular weight of 279.34 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-6-piperazin-1-yl-2-pyridinyl)-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 166859235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).