5-(4-chlorophenyl)-5-ethyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione

C18H20ClN3O2S — CID 47037814

IUPAC5-(4-chlorophenyl)-5-ethyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESCCCc1nc(CN2C(=O)NC(CC)(c3ccc(Cl)cc3)C2=O)cs1
InChIInChI=1S/C18H20ClN3O2S/c1-3-5-15-20-14(11-25-15)10-22-16(23)18(4-2,21-17(22)24)12-6-8-13(19)9-7-12/h6-9,11H,3-5,10H2,1-2H3,(H,21,24)
InChIKeyUICKDEYEIJTRGD-UHFFFAOYSA-N
MW377.90 g/mol
LogP4.11
Rot. Bonds6

About 5-(4-chlorophenyl)-5-ethyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione

5-(4-chlorophenyl)-5-ethyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione (PubChem CID 47037814) has the molecular formula C18H20ClN3O2S and a molecular weight of 377.90 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-5-ethyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-5-ethyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
PubChem CID47037814
Molecular FormulaC18H20ClN3O2S
Molecular Weight377.90 g/mol
Exact Mass377.10
IUPAC Name5-(4-chlorophenyl)-5-ethyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESCCCc1nc(CN2C(=O)NC(CC)(c3ccc(Cl)cc3)C2=O)cs1
InChIInChI=1S/C18H20ClN3O2S/c1-3-5-15-20-14(11-25-15)10-22-16(23)18(4-2,21-17(22)24)12-6-8-13(19)9-7-12/h6-9,11H,3-5,10H2,1-2H3,(H,21,24)
InChIKeyUICKDEYEIJTRGD-UHFFFAOYSA-N
XLogP4.11
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(4-(2-oxo-2-(4-(2-oxo-2-(pyrrolidin-1-yl)ethyl)piperazin-1-yl)ethyl)thiazol-2-yl)benzamide
CID 42643068
1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-methyl-N-propylpyrrolidine-3-carboxamide
CID 46948328
8-(3-Chlorophenyl)-3,5-dimethyl-13-(4-methyl-1,3-thiazol-2-yl)-3,5,9,12-tetrazatricyclo[7.4.0.02,7]tridecane-4,6-dione
CID 126842537
3-[[2-(4-Methylphenyl)-1,3-thiazol-4-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 7567666
5-(4-Fluorophenyl)-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 16612114
Hydantoin, 1-(4-(p-chlorophenyl)-2-thiazolyl)-
CID 3060461
2-(4-chlorophenyl)-N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
CID 46113974
4-chloro-N-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-N-methyl-D-phenylalaninamide
CID 70732379
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 172436100
N-[(2-{1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl}-1,3-thiazol-4-yl)methyl]propanamide
CID 53149351
N-[(2-{1-[2-(2-Chlorophenyl)acetyl]piperidin-4-YL}-1,3-thiazol-4-YL)methyl]-2-methylpropanamide
CID 53149357
N-({2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl}methyl)-2-methylpropanamide
CID 53149421

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-5-ethyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(4-chlorophenyl)-5-ethyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione (CID 47037814) is 5-(4-chlorophenyl)-5-ethyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-chlorophenyl)-5-ethyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-chlorophenyl)-5-ethyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione is CCCc1nc(CN2C(=O)NC(CC)(c3ccc(Cl)cc3)C2=O)cs1.
What is the InChIKey of 5-(4-chlorophenyl)-5-ethyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is UICKDEYEIJTRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2S/c1-3-5-15-20-14(11-25-15)10-22-16(23)18(4-2,21-17(22)24)12-6-8-13(19)9-7-12/h6-9,11H,3-5,10H2,1-2H3,(H,21,24).
What are the key properties of 5-(4-chlorophenyl)-5-ethyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione?
5-(4-chlorophenyl)-5-ethyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 377.90 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-5-ethyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 47037814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).