3-[(3-methoxy-1,2-thiazol-4-yl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione

C14H15N3O4S — CID 167945121

IUPAC3-[(3-methoxy-1,2-thiazol-4-yl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione
SMILESCOc1nscc1CN1C(=O)NC(C)(c2ccc(C)o2)C1=O
InChIInChI=1S/C14H15N3O4S/c1-8-4-5-10(21-8)14(2)12(18)17(13(19)15-14)6-9-7-22-16-11(9)20-3/h4-5,7H,6H2,1-3H3,(H,15,19)
InChIKeyIYIABZUDFLHZQE-UHFFFAOYSA-N
MW321.36 g/mol
LogP2.02
Rot. Bonds4

About 3-[(3-methoxy-1,2-thiazol-4-yl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione

3-[(3-methoxy-1,2-thiazol-4-yl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione (PubChem CID 167945121) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is 3-[(3-methoxy-1,2-thiazol-4-yl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3-methoxy-1,2-thiazol-4-yl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione
PubChem CID167945121
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Name3-[(3-methoxy-1,2-thiazol-4-yl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione
SMILESCOc1nscc1CN1C(=O)NC(C)(c2ccc(C)o2)C1=O
InChIInChI=1S/C14H15N3O4S/c1-8-4-5-10(21-8)14(2)12(18)17(13(19)15-14)6-9-7-22-16-11(9)20-3/h4-5,7H,6H2,1-3H3,(H,15,19)
InChIKeyIYIABZUDFLHZQE-UHFFFAOYSA-N
XLogP2.02
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-methyl-5-(5-methylfuran-2-yl)-3-[(5-nitrothiophen-3-yl)methyl]imidazolidine-2,4-dione
CID 95282818
3-[(3-bromophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione
CID 60617594
5-methyl-5-(5-methylfuran-2-yl)-3-[2-(oxetan-3-yl)ethyl]imidazolidine-2,4-dione
CID 146142126
(5S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione
CID 94814004
2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 94814614
N-(ethylcarbamoyl)-2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51106021
N-(2-ethoxyphenyl)-2-[(4R)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 52509368
N-[(4-chlorophenyl)methyl]-2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51132253
N-(2,3-dimethylphenyl)-2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 52510822
N-(2-chlorophenyl)-2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 52512676
N-(2,3-dimethylphenyl)-2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51132252
N-(3,4-difluorophenyl)-2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 47092818

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-1,2-thiazol-4-yl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione?
The IUPAC name of 3-[(3-methoxy-1,2-thiazol-4-yl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione (CID 167945121) is 3-[(3-methoxy-1,2-thiazol-4-yl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(3-methoxy-1,2-thiazol-4-yl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[(3-methoxy-1,2-thiazol-4-yl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione is COc1nscc1CN1C(=O)NC(C)(c2ccc(C)o2)C1=O.
What is the InChIKey of 3-[(3-methoxy-1,2-thiazol-4-yl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione?
The InChIKey is IYIABZUDFLHZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-8-4-5-10(21-8)14(2)12(18)17(13(19)15-14)6-9-7-22-16-11(9)20-3/h4-5,7H,6H2,1-3H3,(H,15,19).
What are the key properties of 3-[(3-methoxy-1,2-thiazol-4-yl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione?
3-[(3-methoxy-1,2-thiazol-4-yl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione has a molecular weight of 321.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-1,2-thiazol-4-yl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 167945121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).