N-[(3R,4S)-3-hydroxy-4-phenyl-1-(1,3-thiazol-2-yl)piperidin-4-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide

C20H25N5O3S — CID 171915306

IUPACN-[(3R,4S)-3-hydroxy-4-phenyl-1-(1,3-thiazol-2-yl)piperidin-4-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
SMILESCN1CCN(CC(=O)N[C@]2(c3ccccc3)CCN(c3nccs3)C[C@H]2O)C1=O
InChIInChI=1S/C20H25N5O3S/c1-23-10-11-25(19(23)28)14-17(27)22-20(15-5-3-2-4-6-15)7-9-24(13-16(20)26)18-21-8-12-29-18/h2-6,8,12,16,26H,7,9-11,13-14H2,1H3,(H,22,27)/t16-,20+/m1/s1
InChIKeySDMLLFQTIDVDEL-UZLBHIALSA-N
MW415.52 g/mol
LogP1.09
Rot. Bonds5

About N-[(3R,4S)-3-hydroxy-4-phenyl-1-(1,3-thiazol-2-yl)piperidin-4-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide

N-[(3R,4S)-3-hydroxy-4-phenyl-1-(1,3-thiazol-2-yl)piperidin-4-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide (PubChem CID 171915306) has the molecular formula C20H25N5O3S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[(3R,4S)-3-hydroxy-4-phenyl-1-(1,3-thiazol-2-yl)piperidin-4-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-hydroxy-4-phenyl-1-(1,3-thiazol-2-yl)piperidin-4-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
PubChem CID171915306
Molecular FormulaC20H25N5O3S
Molecular Weight415.52 g/mol
Exact Mass415.17
IUPAC NameN-[(3R,4S)-3-hydroxy-4-phenyl-1-(1,3-thiazol-2-yl)piperidin-4-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
SMILESCN1CCN(CC(=O)N[C@]2(c3ccccc3)CCN(c3nccs3)C[C@H]2O)C1=O
InChIInChI=1S/C20H25N5O3S/c1-23-10-11-25(19(23)28)14-17(27)22-20(15-5-3-2-4-6-15)7-9-24(13-16(20)26)18-21-8-12-29-18/h2-6,8,12,16,26H,7,9-11,13-14H2,1H3,(H,22,27)/t16-,20+/m1/s1
InChIKeySDMLLFQTIDVDEL-UZLBHIALSA-N
XLogP1.09
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-hydroxy-4-phenyl-1-(1,3-thiazol-2-yl)piperidin-4-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(3R,4S)-3-hydroxy-4-phenyl-1-(1,3-thiazol-2-yl)piperidin-4-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide (CID 171915306) is N-[(3R,4S)-3-hydroxy-4-phenyl-1-(1,3-thiazol-2-yl)piperidin-4-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(3R,4S)-3-hydroxy-4-phenyl-1-(1,3-thiazol-2-yl)piperidin-4-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(3R,4S)-3-hydroxy-4-phenyl-1-(1,3-thiazol-2-yl)piperidin-4-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide is CN1CCN(CC(=O)N[C@]2(c3ccccc3)CCN(c3nccs3)C[C@H]2O)C1=O.
What is the InChIKey of N-[(3R,4S)-3-hydroxy-4-phenyl-1-(1,3-thiazol-2-yl)piperidin-4-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide?
The InChIKey is SDMLLFQTIDVDEL-UZLBHIALSA-N. The full InChI is InChI=1S/C20H25N5O3S/c1-23-10-11-25(19(23)28)14-17(27)22-20(15-5-3-2-4-6-15)7-9-24(13-16(20)26)18-21-8-12-29-18/h2-6,8,12,16,26H,7,9-11,13-14H2,1H3,(H,22,27)/t16-,20+/m1/s1.
What are the key properties of N-[(3R,4S)-3-hydroxy-4-phenyl-1-(1,3-thiazol-2-yl)piperidin-4-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide?
N-[(3R,4S)-3-hydroxy-4-phenyl-1-(1,3-thiazol-2-yl)piperidin-4-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide has a molecular weight of 415.52 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-hydroxy-4-phenyl-1-(1,3-thiazol-2-yl)piperidin-4-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 171915306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).