1-cyclopentyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4,5-trione

C14H17N3O3S — CID 47077517

IUPAC1-cyclopentyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4,5-trione
SMILESCCc1nc(CN2C(=O)C(=O)N(C3CCCC3)C2=O)cs1
InChIInChI=1S/C14H17N3O3S/c1-2-11-15-9(8-21-11)7-16-12(18)13(19)17(14(16)20)10-5-3-4-6-10/h8,10H,2-7H2,1H3
InChIKeyUPUMCPBGXAUKIH-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.94
Rot. Bonds4

About 1-cyclopentyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4,5-trione

1-cyclopentyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4,5-trione (PubChem CID 47077517) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-cyclopentyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4,5-trione
PubChem CID47077517
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name1-cyclopentyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4,5-trione
SMILESCCc1nc(CN2C(=O)C(=O)N(C3CCCC3)C2=O)cs1
InChIInChI=1S/C14H17N3O3S/c1-2-11-15-9(8-21-11)7-16-12(18)13(19)17(14(16)20)10-5-3-4-6-10/h8,10H,2-7H2,1H3
InChIKeyUPUMCPBGXAUKIH-UHFFFAOYSA-N
XLogP1.94
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-cyclopentyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4,5-trione (CID 47077517) is 1-cyclopentyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-cyclopentyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-cyclopentyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4,5-trione is CCc1nc(CN2C(=O)C(=O)N(C3CCCC3)C2=O)cs1.
What is the InChIKey of 1-cyclopentyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4,5-trione?
The InChIKey is UPUMCPBGXAUKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-2-11-15-9(8-21-11)7-16-12(18)13(19)17(14(16)20)10-5-3-4-6-10/h8,10H,2-7H2,1H3.
What are the key properties of 1-cyclopentyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4,5-trione?
1-cyclopentyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4,5-trione has a molecular weight of 307.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 47077517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).