[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate

C21H21N3O4S — CID 55529976

IUPAC[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
SMILESO=C(OCc1csc(-c2ccco2)n1)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C21H21N3O4S/c25-20(28-13-17-14-29-19(22-17)18-9-5-11-27-18)15-6-4-10-24(12-15)21(26)23-16-7-2-1-3-8-16/h1-3,5,7-9,11,14-15H,4,6,10,12-13H2,(H,23,26)
InChIKeyWWLHJGXYQDZETN-UHFFFAOYSA-N
MW411.48 g/mol
LogP4.39
Rot. Bonds5

About [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate

[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate (PubChem CID 55529976) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
PubChem CID55529976
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
SMILESO=C(OCc1csc(-c2ccco2)n1)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C21H21N3O4S/c25-20(28-13-17-14-29-19(22-17)18-9-5-11-27-18)15-6-4-10-24(12-15)21(26)23-16-7-2-1-3-8-16/h1-3,5,7-9,11,14-15H,4,6,10,12-13H2,(H,23,26)
InChIKeyWWLHJGXYQDZETN-UHFFFAOYSA-N
XLogP4.39
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methyl-1,2-oxazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 47013955
[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55534165
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426090
(3S)-3-N-(furan-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435298
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 32743214
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 55529442
(3-carbamoylphenyl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55634436
(1-cyclopropyltetrazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55552818
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate
CID 32854126
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426204
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836511
methyl 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate
CID 60714594

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate?
The IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate (CID 55529976) is [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate.
What is the SMILES notation for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate?
The canonical SMILES for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate is O=C(OCc1csc(-c2ccco2)n1)C1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate?
The InChIKey is WWLHJGXYQDZETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c25-20(28-13-17-14-29-19(22-17)18-9-5-11-27-18)15-6-4-10-24(12-15)21(26)23-16-7-2-1-3-8-16/h1-3,5,7-9,11,14-15H,4,6,10,12-13H2,(H,23,26).
What are the key properties of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate?
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate has a molecular weight of 411.48 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate is sourced from PubChem (CID 55529976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).