4,4-difluoro-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide

C17H19F2N3O2S — CID 122560937

IUPAC4,4-difluoro-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide
SMILESCOc1ccccc1-c1ncc(CNC(=O)N2CCC(F)(F)CC2)s1
InChIInChI=1S/C17H19F2N3O2S/c1-24-14-5-3-2-4-13(14)15-20-10-12(25-15)11-21-16(23)22-8-6-17(18,19)7-9-22/h2-5,10H,6-9,11H2,1H3,(H,21,23)
InChIKeyWORNPHSVKBYGGL-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.76
Rot. Bonds4

About 4,4-difluoro-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide

4,4-difluoro-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide (PubChem CID 122560937) has the molecular formula C17H19F2N3O2S and a molecular weight of 367.42 g/mol. Its IUPAC name is 4,4-difluoro-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide
PubChem CID122560937
Molecular FormulaC17H19F2N3O2S
Molecular Weight367.42 g/mol
Exact Mass367.12
IUPAC Name4,4-difluoro-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide
SMILESCOc1ccccc1-c1ncc(CNC(=O)N2CCC(F)(F)CC2)s1
InChIInChI=1S/C17H19F2N3O2S/c1-24-14-5-3-2-4-13(14)15-20-10-12(25-15)11-21-16(23)22-8-6-17(18,19)7-9-22/h2-5,10H,6-9,11H2,1H3,(H,21,23)
InChIKeyWORNPHSVKBYGGL-UHFFFAOYSA-N
XLogP3.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide (CID 122560937) is 4,4-difluoro-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide is COc1ccccc1-c1ncc(CNC(=O)N2CCC(F)(F)CC2)s1.
What is the InChIKey of 4,4-difluoro-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide?
The InChIKey is WORNPHSVKBYGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2S/c1-24-14-5-3-2-4-13(14)15-20-10-12(25-15)11-21-16(23)22-8-6-17(18,19)7-9-22/h2-5,10H,6-9,11H2,1H3,(H,21,23).
What are the key properties of 4,4-difluoro-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide?
4,4-difluoro-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 122560937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).