3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione

C15H21N3O2S — CID 78879100

IUPAC3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
SMILESCC(C)(C)c1nc(CN2C(=O)NC(C)(C3CC3)C2=O)cs1
InChIInChI=1S/C15H21N3O2S/c1-14(2,3)11-16-10(8-21-11)7-18-12(19)15(4,9-5-6-9)17-13(18)20/h8-9H,5-7H2,1-4H3,(H,17,20)
InChIKeyQGQRCLQYMIWKPZ-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.66
Rot. Bonds3

About 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione

3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione (PubChem CID 78879100) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
PubChem CID78879100
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
SMILESCC(C)(C)c1nc(CN2C(=O)NC(C)(C3CC3)C2=O)cs1
InChIInChI=1S/C15H21N3O2S/c1-14(2,3)11-16-10(8-21-11)7-18-12(19)15(4,9-5-6-9)17-13(18)20/h8-9H,5-7H2,1-4H3,(H,17,20)
InChIKeyQGQRCLQYMIWKPZ-UHFFFAOYSA-N
XLogP2.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione (CID 78879100) is 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione is CC(C)(C)c1nc(CN2C(=O)NC(C)(C3CC3)C2=O)cs1.
What is the InChIKey of 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The InChIKey is QGQRCLQYMIWKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-14(2,3)11-16-10(8-21-11)7-18-12(19)15(4,9-5-6-9)17-13(18)20/h8-9H,5-7H2,1-4H3,(H,17,20).
What are the key properties of 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione has a molecular weight of 307.42 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 78879100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).