fluoro 2-piperidin-4-yl-1,3-thiazole-4-carboxylate

C9H11FN2O2S — CID 156738991

IUPACfluoro 2-piperidin-4-yl-1,3-thiazole-4-carboxylate
SMILESO=C(OF)c1csc(C2CCNCC2)n1
InChIInChI=1S/C9H11FN2O2S/c10-14-9(13)7-5-15-8(12-7)6-1-3-11-4-2-6/h5-6,11H,1-4H2
InChIKeyAKVFYFYZFNBXAU-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.65
Rot. Bonds2

About fluoro 2-piperidin-4-yl-1,3-thiazole-4-carboxylate

fluoro 2-piperidin-4-yl-1,3-thiazole-4-carboxylate (PubChem CID 156738991) has the molecular formula C9H11FN2O2S and a molecular weight of 230.26 g/mol. Its IUPAC name is fluoro 2-piperidin-4-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namefluoro 2-piperidin-4-yl-1,3-thiazole-4-carboxylate
PubChem CID156738991
Molecular FormulaC9H11FN2O2S
Molecular Weight230.26 g/mol
Exact Mass230.05
IUPAC Namefluoro 2-piperidin-4-yl-1,3-thiazole-4-carboxylate
SMILESO=C(OF)c1csc(C2CCNCC2)n1
InChIInChI=1S/C9H11FN2O2S/c10-14-9(13)7-5-15-8(12-7)6-1-3-11-4-2-6/h5-6,11H,1-4H2
InChIKeyAKVFYFYZFNBXAU-UHFFFAOYSA-N
XLogP1.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 66679882
2,5-dihydropyrrol-1-yl-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
CID 3687137
N-cyclohexyl-N-methyl-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 23765843
ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate
CID 54513950
(3-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
CID 3503776
(2-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
CID 3875834
N-(9H-fluoren-9-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3553057
N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3854076
4-methyl-2-piperidin-4-yl-1,3-thiazole
CID 23404938
(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
CID 66887064
methyl 3-[4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]cyclohexyl]propanoate
CID 18969415
ethyl 4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 5091991

Frequently Asked Questions

What is the IUPAC name of fluoro 2-piperidin-4-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of fluoro 2-piperidin-4-yl-1,3-thiazole-4-carboxylate (CID 156738991) is fluoro 2-piperidin-4-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for fluoro 2-piperidin-4-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for fluoro 2-piperidin-4-yl-1,3-thiazole-4-carboxylate is O=C(OF)c1csc(C2CCNCC2)n1.
What is the InChIKey of fluoro 2-piperidin-4-yl-1,3-thiazole-4-carboxylate?
The InChIKey is AKVFYFYZFNBXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2S/c10-14-9(13)7-5-15-8(12-7)6-1-3-11-4-2-6/h5-6,11H,1-4H2.
What are the key properties of fluoro 2-piperidin-4-yl-1,3-thiazole-4-carboxylate?
fluoro 2-piperidin-4-yl-1,3-thiazole-4-carboxylate has a molecular weight of 230.26 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-piperidin-4-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 156738991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).