fluoro 2-piperazin-1-yl-1,3-thiazole-5-carboxylate

C8H10FN3O2S — CID 143108154

IUPACfluoro 2-piperazin-1-yl-1,3-thiazole-5-carboxylate
SMILESO=C(OF)c1cnc(N2CCNCC2)s1
InChIInChI=1S/C8H10FN3O2S/c9-14-7(13)6-5-11-8(15-6)12-3-1-10-2-4-12/h5,10H,1-4H2
InChIKeyRTKQUWHYWACGQJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.59
Rot. Bonds2

About fluoro 2-piperazin-1-yl-1,3-thiazole-5-carboxylate

fluoro 2-piperazin-1-yl-1,3-thiazole-5-carboxylate (PubChem CID 143108154) has the molecular formula C8H10FN3O2S and a molecular weight of 231.25 g/mol. Its IUPAC name is fluoro 2-piperazin-1-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namefluoro 2-piperazin-1-yl-1,3-thiazole-5-carboxylate
PubChem CID143108154
Molecular FormulaC8H10FN3O2S
Molecular Weight231.25 g/mol
Exact Mass231.05
IUPAC Namefluoro 2-piperazin-1-yl-1,3-thiazole-5-carboxylate
SMILESO=C(OF)c1cnc(N2CCNCC2)s1
InChIInChI=1S/C8H10FN3O2S/c9-14-7(13)6-5-11-8(15-6)12-3-1-10-2-4-12/h5,10H,1-4H2
InChIKeyRTKQUWHYWACGQJ-UHFFFAOYSA-N
XLogP0.59
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-(methylamino)-1,3-thiazole-5-carboxylate
CID 71668451
2-(Cyclopropylamino)-1,3-thiazole-5-carboxylic acid
CID 54595590
Ethyl 2-(piperazin-1-yl)-1,3-thiazole-5-carboxylate
CID 54595879
2-(4-Methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid dihydrochloride
CID 54595164
Lithium 2-((2-methoxyethyl)amino)-1,3-thiazole-5-carboxylate
CID 138040570
2-(4-Methyl-1-piperazinyl)-5-thiazolecarboxylic acid
CID 54595165
Methyl 2-(2,2-difluoroethylamino)-1,3-thiazole-5-carboxylate
CID 115409396
2,2,2-Trifluoro-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone
CID 141447757
2-[(3R)-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 143277520
2-(Ethylamino)-1,3-thiazole-5-carboxylic acid
CID 54595878
2-[Ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62754676
2-[Propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62754856

Frequently Asked Questions

What is the IUPAC name of fluoro 2-piperazin-1-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of fluoro 2-piperazin-1-yl-1,3-thiazole-5-carboxylate (CID 143108154) is fluoro 2-piperazin-1-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for fluoro 2-piperazin-1-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for fluoro 2-piperazin-1-yl-1,3-thiazole-5-carboxylate is O=C(OF)c1cnc(N2CCNCC2)s1.
What is the InChIKey of fluoro 2-piperazin-1-yl-1,3-thiazole-5-carboxylate?
The InChIKey is RTKQUWHYWACGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O2S/c9-14-7(13)6-5-11-8(15-6)12-3-1-10-2-4-12/h5,10H,1-4H2.
What are the key properties of fluoro 2-piperazin-1-yl-1,3-thiazole-5-carboxylate?
fluoro 2-piperazin-1-yl-1,3-thiazole-5-carboxylate has a molecular weight of 231.25 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-piperazin-1-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 143108154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).