(5S)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione

C20H24N4O2S — CID 95230839

IUPAC(5S)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@@](CCc2ccccc2)(C2CCNCC2)C(=O)N1Cc1cncs1
InChIInChI=1S/C20H24N4O2S/c25-18-20(16-7-10-21-11-8-16,9-6-15-4-2-1-3-5-15)23-19(26)24(18)13-17-12-22-14-27-17/h1-5,12,14,16,21H,6-11,13H2,(H,23,26)/t20-/m0/s1
InChIKeyPUTXBXFHQMRNGL-FQEVSTJZSA-N
MW384.51 g/mol
LogP2.57
Rot. Bonds6

About (5S)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione

(5S)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione (PubChem CID 95230839) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is (5S)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione
PubChem CID95230839
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name(5S)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@@](CCc2ccccc2)(C2CCNCC2)C(=O)N1Cc1cncs1
InChIInChI=1S/C20H24N4O2S/c25-18-20(16-7-10-21-11-8-16,9-6-15-4-2-1-3-5-15)23-19(26)24(18)13-17-12-22-14-27-17/h1-5,12,14,16,21H,6-11,13H2,(H,23,26)/t20-/m0/s1
InChIKeyPUTXBXFHQMRNGL-FQEVSTJZSA-N
XLogP2.57
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione (CID 95230839) is (5S)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione is O=C1N[C@@](CCc2ccccc2)(C2CCNCC2)C(=O)N1Cc1cncs1.
What is the InChIKey of (5S)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is PUTXBXFHQMRNGL-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24N4O2S/c25-18-20(16-7-10-21-11-8-16,9-6-15-4-2-1-3-5-15)23-19(26)24(18)13-17-12-22-14-27-17/h1-5,12,14,16,21H,6-11,13H2,(H,23,26)/t20-/m0/s1.
What are the key properties of (5S)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione?
(5S)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 384.51 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(1,3-thiazol-5-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 95230839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).