5-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]furan-3-carbohydrazide

C10H13N3O5S — CID 79886873

IUPAC5-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]furan-3-carbohydrazide
SMILESCC1(C)C(=O)N(Cc2cc(C(=O)NN)co2)S1(=O)=O
InChIInChI=1S/C10H13N3O5S/c1-10(2)9(15)13(19(10,16)17)4-7-3-6(5-18-7)8(14)12-11/h3,5H,4,11H2,1-2H3,(H,12,14)
InChIKeyLESZORHWPYSNNV-UHFFFAOYSA-N
MW287.30 g/mol
LogP-0.67
Rot. Bonds3

About 5-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]furan-3-carbohydrazide

5-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]furan-3-carbohydrazide (PubChem CID 79886873) has the molecular formula C10H13N3O5S and a molecular weight of 287.30 g/mol. Its IUPAC name is 5-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]furan-3-carbohydrazide
PubChem CID79886873
Molecular FormulaC10H13N3O5S
Molecular Weight287.30 g/mol
Exact Mass287.06
IUPAC Name5-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]furan-3-carbohydrazide
SMILESCC1(C)C(=O)N(Cc2cc(C(=O)NN)co2)S1(=O)=O
InChIInChI=1S/C10H13N3O5S/c1-10(2)9(15)13(19(10,16)17)4-7-3-6(5-18-7)8(14)12-11/h3,5H,4,11H2,1-2H3,(H,12,14)
InChIKeyLESZORHWPYSNNV-UHFFFAOYSA-N
XLogP-0.67
TPSA122.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63581288
5-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-3-carbohydrazide
CID 63571860
5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
CID 63812365
2-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]benzohydrazide
CID 79886178
5-[(4-methyl-3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide
CID 64696021
5-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 79886767
5-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide
CID 63579417
5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide
CID 63569061
5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-3-carbohydrazide
CID 103540560
5-[(2-methylpyrrolidin-1-yl)methyl]furan-3-carbohydrazide
CID 63570944
5-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide
CID 63577370
5-[(4-ethylpiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63578224

Frequently Asked Questions

What is the IUPAC name of 5-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]furan-3-carbohydrazide (CID 79886873) is 5-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]furan-3-carbohydrazide is CC1(C)C(=O)N(Cc2cc(C(=O)NN)co2)S1(=O)=O.
What is the InChIKey of 5-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]furan-3-carbohydrazide?
The InChIKey is LESZORHWPYSNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5S/c1-10(2)9(15)13(19(10,16)17)4-7-3-6(5-18-7)8(14)12-11/h3,5H,4,11H2,1-2H3,(H,12,14).
What are the key properties of 5-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]furan-3-carbohydrazide?
5-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]furan-3-carbohydrazide has a molecular weight of 287.30 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 79886873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).