5-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione

C27H37N5O2S — CID 45179778

IUPAC5-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
SMILESCCC1(C2CCN(C/C=C/c3ccc(N(C)C)cc3)CC2)NC(=O)N(CCc2scnc2C)C1=O
InChIInChI=1S/C27H37N5O2S/c1-5-27(25(33)32(26(34)29-27)18-14-24-20(2)28-19-35-24)22-12-16-31(17-13-22)15-6-7-21-8-10-23(11-9-21)30(3)4/h6-11,19,22H,5,12-18H2,1-4H3,(H,29,34)/b7-6+
InChIKeyJHBVKJQCHBPGMK-VOTSOKGWSA-N
MW495.69 g/mol
LogP4.19
Rot. Bonds9

About 5-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione

5-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 45179778) has the molecular formula C27H37N5O2S and a molecular weight of 495.69 g/mol. Its IUPAC name is 5-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
PubChem CID45179778
Molecular FormulaC27H37N5O2S
Molecular Weight495.69 g/mol
Exact Mass495.27
IUPAC Name5-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
SMILESCCC1(C2CCN(C/C=C/c3ccc(N(C)C)cc3)CC2)NC(=O)N(CCc2scnc2C)C1=O
InChIInChI=1S/C27H37N5O2S/c1-5-27(25(33)32(26(34)29-27)18-14-24-20(2)28-19-35-24)22-12-16-31(17-13-22)15-6-7-21-8-10-23(11-9-21)30(3)4/h6-11,19,22H,5,12-18H2,1-4H3,(H,29,34)/b7-6+
InChIKeyJHBVKJQCHBPGMK-VOTSOKGWSA-N
XLogP4.19
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.69
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
CID 45193207
(5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 26279744
(5R)-5-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
CID 42238307
(5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 42373238
5-ethyl-5-[1-(2-methylbenzoyl)piperidin-4-yl]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
CID 45165550
5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
CID 45165952
5-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
CID 45165780
5-[1-(2,3-difluorobenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
CID 45166025
(5R)-5-[1-(2,3-difluorobenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
CID 42340375
5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-piperidin-4-ylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
CID 154903046
(5R)-5-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 42166777
ethyl 1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidine-4-carboxylate
CID 782562

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione (CID 45179778) is 5-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione is CCC1(C2CCN(C/C=C/c3ccc(N(C)C)cc3)CC2)NC(=O)N(CCc2scnc2C)C1=O.
What is the InChIKey of 5-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is JHBVKJQCHBPGMK-VOTSOKGWSA-N. The full InChI is InChI=1S/C27H37N5O2S/c1-5-27(25(33)32(26(34)29-27)18-14-24-20(2)28-19-35-24)22-12-16-31(17-13-22)15-6-7-21-8-10-23(11-9-21)30(3)4/h6-11,19,22H,5,12-18H2,1-4H3,(H,29,34)/b7-6+.
What are the key properties of 5-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione?
5-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 495.69 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 45179778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).