2-(2,4-difluorophenyl)-N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]acetamide

C17H19F2N3O2S — CID 118772325

IUPAC2-(2,4-difluorophenyl)-N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1F)N[C@@H]1CCN(Cc2cscn2)C[C@H]1O
InChIInChI=1S/C17H19F2N3O2S/c18-12-2-1-11(14(19)6-12)5-17(24)21-15-3-4-22(8-16(15)23)7-13-9-25-10-20-13/h1-2,6,9-10,15-16,23H,3-5,7-8H2,(H,21,24)/t15-,16-/m1/s1
InChIKeyKKZACVGIMLUMJM-HZPDHXFCSA-N
MW367.42 g/mol
LogP1.72
Rot. Bonds5

About 2-(2,4-difluorophenyl)-N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]acetamide

2-(2,4-difluorophenyl)-N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]acetamide (PubChem CID 118772325) has the molecular formula C17H19F2N3O2S and a molecular weight of 367.42 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]acetamide
PubChem CID118772325
Molecular FormulaC17H19F2N3O2S
Molecular Weight367.42 g/mol
Exact Mass367.12
IUPAC Name2-(2,4-difluorophenyl)-N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1F)N[C@@H]1CCN(Cc2cscn2)C[C@H]1O
InChIInChI=1S/C17H19F2N3O2S/c18-12-2-1-11(14(19)6-12)5-17(24)21-15-3-4-22(8-16(15)23)7-13-9-25-10-20-13/h1-2,6,9-10,15-16,23H,3-5,7-8H2,(H,21,24)/t15-,16-/m1/s1
InChIKeyKKZACVGIMLUMJM-HZPDHXFCSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 118786054
N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 121498184
2-(2,4-difluorophenyl)-N-(2-methylcyclohexyl)acetamide
CID 110488908
(4S,5S)-5-(2-fluorophenoxy)-1-(1,3-thiazol-4-ylmethyl)azepan-4-ol
CID 155987574
3-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]benzoic acid
CID 97196675
1-[(6R)-6-hydroxy-4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 97121644
N-(2-aminoethyl)-1-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxamide
CID 63253183
2-(4-aminopiperidin-1-yl)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 79328654
2-(2,4-difluorophenyl)-N-[(2R,3R)-2-methylpiperidin-3-yl]acetamide
CID 124517357
2-(2,4-difluorophenyl)-N-[(2S,3S)-2-methylpiperidin-3-yl]acetamide
CID 124517360
(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine
CID 24904864
1-cyclopropyl-2-(2,4-difluorophenyl)ethanone
CID 23138773

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]acetamide (CID 118772325) is 2-(2,4-difluorophenyl)-N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]acetamide is O=C(Cc1ccc(F)cc1F)N[C@@H]1CCN(Cc2cscn2)C[C@H]1O.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]acetamide?
The InChIKey is KKZACVGIMLUMJM-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H19F2N3O2S/c18-12-2-1-11(14(19)6-12)5-17(24)21-15-3-4-22(8-16(15)23)7-13-9-25-10-20-13/h1-2,6,9-10,15-16,23H,3-5,7-8H2,(H,21,24)/t15-,16-/m1/s1.
What are the key properties of 2-(2,4-difluorophenyl)-N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]acetamide?
2-(2,4-difluorophenyl)-N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]acetamide has a molecular weight of 367.42 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 118772325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).