5-(furan-2-yl)-3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione

C12H13N5O3S — CID 79761553

IUPAC5-(furan-2-yl)-3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccco2)NC(=O)N(Cc2cnc(NN)s2)C1=O
InChIInChI=1S/C12H13N5O3S/c1-12(8-3-2-4-20-8)9(18)17(11(19)15-12)6-7-5-14-10(16-13)21-7/h2-5H,6,13H2,1H3,(H,14,16)(H,15,19)
InChIKeyXKLGWVAEISBZMD-UHFFFAOYSA-N
MW307.34 g/mol
LogP0.99
Rot. Bonds4

About 5-(furan-2-yl)-3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione

5-(furan-2-yl)-3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 79761553) has the molecular formula C12H13N5O3S and a molecular weight of 307.34 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(furan-2-yl)-3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione
PubChem CID79761553
Molecular FormulaC12H13N5O3S
Molecular Weight307.34 g/mol
Exact Mass307.07
IUPAC Name5-(furan-2-yl)-3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccco2)NC(=O)N(Cc2cnc(NN)s2)C1=O
InChIInChI=1S/C12H13N5O3S/c1-12(8-3-2-4-20-8)9(18)17(11(19)15-12)6-7-5-14-10(16-13)21-7/h2-5H,6,13H2,1H3,(H,14,16)(H,15,19)
InChIKeyXKLGWVAEISBZMD-UHFFFAOYSA-N
XLogP0.99
TPSA113.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5R)-3-benzyl-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51462112
3-(2-aminopropyl)-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 18073152
3-[(5-chloropyrazin-2-yl)methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 103054477
2-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 17395489
3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 79775113
5-(furan-2-yl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione
CID 46642091
N-(4-fluorophenyl)-5-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 55536522
5-(furan-2-yl)-5-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
CID 47013283
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 94820088
2-[4-[[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]benzonitrile
CID 30292753
(5R)-5-(furan-2-yl)-5-methyl-3-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]imidazolidine-2,4-dione
CID 94139825
2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-hydroxyethyl)acetamide
CID 43509786

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(furan-2-yl)-3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione (CID 79761553) is 5-(furan-2-yl)-3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(furan-2-yl)-3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(furan-2-yl)-3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione is CC1(c2ccco2)NC(=O)N(Cc2cnc(NN)s2)C1=O.
What is the InChIKey of 5-(furan-2-yl)-3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is XKLGWVAEISBZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3S/c1-12(8-3-2-4-20-8)9(18)17(11(19)15-12)6-7-5-14-10(16-13)21-7/h2-5H,6,13H2,1H3,(H,14,16)(H,15,19).
What are the key properties of 5-(furan-2-yl)-3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione?
5-(furan-2-yl)-3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 307.34 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 79761553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).