1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C17H19F2N3O2S — CID 71889221

IUPAC1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN(CC(O)c2cc(F)ccc2F)C1
InChIInChI=1S/C17H19F2N3O2S/c18-12-3-4-14(19)13(8-12)15(23)10-22-6-1-2-11(9-22)16(24)21-17-20-5-7-25-17/h3-5,7-8,11,15,23H,1-2,6,9-10H2,(H,20,21,24)
InChIKeyQDXATXZODZOTIS-UHFFFAOYSA-N
MW367.42 g/mol
LogP2.81
Rot. Bonds5

About 1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 71889221) has the molecular formula C17H19F2N3O2S and a molecular weight of 367.42 g/mol. Its IUPAC name is 1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID71889221
Molecular FormulaC17H19F2N3O2S
Molecular Weight367.42 g/mol
Exact Mass367.12
IUPAC Name1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN(CC(O)c2cc(F)ccc2F)C1
InChIInChI=1S/C17H19F2N3O2S/c18-12-3-4-14(19)13(8-12)15(23)10-22-6-1-2-11(9-22)16(24)21-17-20-5-7-25-17/h3-5,7-8,11,15,23H,1-2,6,9-10H2,(H,20,21,24)
InChIKeyQDXATXZODZOTIS-UHFFFAOYSA-N
XLogP2.81
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 60548570
1-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82217048
2-[1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]acetamide
CID 111565375
(3R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-phenylpiperidine-3-carboxamide
CID 25490937
1-[1-(2,4-difluorophenyl)ethyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 47068763
(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94131947
(3R)-1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 100852698
1-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55959264
(2R)-2-amino-2-(2,5-difluorophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 175993315
(3R)-1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 41118580
(3S)-1-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95276205
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 96557903

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 71889221) is 1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nccs1)C1CCCN(CC(O)c2cc(F)ccc2F)C1.
What is the InChIKey of 1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is QDXATXZODZOTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2S/c18-12-3-4-14(19)13(8-12)15(23)10-22-6-1-2-11(9-22)16(24)21-17-20-5-7-25-17/h3-5,7-8,11,15,23H,1-2,6,9-10H2,(H,20,21,24).
What are the key properties of 1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 71889221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).