1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione

C16H21N3O3S — CID 47066496

IUPAC1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione
SMILESCC(C)(C)c1nc(CN2C(=O)C(=O)N(C3CCCC3)C2=O)cs1
InChIInChI=1S/C16H21N3O3S/c1-16(2,3)14-17-10(9-23-14)8-18-12(20)13(21)19(15(18)22)11-6-4-5-7-11/h9,11H,4-8H2,1-3H3
InChIKeyQUBRWOZIKCFENR-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.67
Rot. Bonds3

About 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione

1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione (PubChem CID 47066496) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione
PubChem CID47066496
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione
SMILESCC(C)(C)c1nc(CN2C(=O)C(=O)N(C3CCCC3)C2=O)cs1
InChIInChI=1S/C16H21N3O3S/c1-16(2,3)14-17-10(9-23-14)8-18-12(20)13(21)19(15(18)22)11-6-4-5-7-11/h9,11H,4-8H2,1-3H3
InChIKeyQUBRWOZIKCFENR-UHFFFAOYSA-N
XLogP2.67
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.67
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-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione (CID 47066496) is 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione is CC(C)(C)c1nc(CN2C(=O)C(=O)N(C3CCCC3)C2=O)cs1.
What is the InChIKey of 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione?
The InChIKey is QUBRWOZIKCFENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-16(2,3)14-17-10(9-23-14)8-18-12(20)13(21)19(15(18)22)11-6-4-5-7-11/h9,11H,4-8H2,1-3H3.
What are the key properties of 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione?
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione has a molecular weight of 335.43 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione is sourced from PubChem (CID 47066496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).