2-[(4-hydrazinyl-2-pyridinyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

C10H14N4O3S — CID 79886082

IUPAC2-[(4-hydrazinyl-2-pyridinyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC1(C)C(=O)N(Cc2cc(NN)ccn2)S1(=O)=O
InChIInChI=1S/C10H14N4O3S/c1-10(2)9(15)14(18(10,16)17)6-8-5-7(13-11)3-4-12-8/h3-5H,6,11H2,1-2H3,(H,12,13)
InChIKeyMRIOEJBWHCJZBM-UHFFFAOYSA-N
MW270.31 g/mol
LogP-0.18
Rot. Bonds3

About 2-[(4-hydrazinyl-2-pyridinyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

2-[(4-hydrazinyl-2-pyridinyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 79886082) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[(4-hydrazinyl-2-pyridinyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-[(4-hydrazinyl-2-pyridinyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID79886082
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name2-[(4-hydrazinyl-2-pyridinyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC1(C)C(=O)N(Cc2cc(NN)ccn2)S1(=O)=O
InChIInChI=1S/C10H14N4O3S/c1-10(2)9(15)14(18(10,16)17)6-8-5-7(13-11)3-4-12-8/h3-5H,6,11H2,1-2H3,(H,12,13)
InChIKeyMRIOEJBWHCJZBM-UHFFFAOYSA-N
XLogP-0.18
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethyl-2-[[4-(methylamino)-2-pyridinyl]methyl]-1,1-dioxothiazetidin-3-one
CID 79886523
4-[(4-hydrazinyl-2-pyridinyl)methyl]-3,3-dimethylpiperazin-2-one
CID 79259650
3-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methylpyrimidin-4-one
CID 79259568
2-[(4-hydrazinyl-2-pyridinyl)methyl]-6-methoxypyridazin-3-one
CID 105062127
2-[(4-hydrazinyl-2-pyridinyl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513978
1-[(4-hydrazinyl-2-pyridinyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321690
1-[(4-hydrazinyl-2-pyridinyl)methyl]-3-methylquinoxalin-2-one
CID 79262169
5-fluoro-1-[(4-hydrazinyl-2-pyridinyl)methyl]pyrimidine-2,4-dione
CID 79259663
2-[[4-(methylamino)-2-pyridinyl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 79244517
[2-[(2-propylimidazol-1-yl)methyl]-4-pyridinyl]hydrazine
CID 79259010
2-[(4-hydrazinyl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 79259843
5-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]furan-3-carbohydrazide
CID 79886873

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydrazinyl-2-pyridinyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-[(4-hydrazinyl-2-pyridinyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 79886082) is 2-[(4-hydrazinyl-2-pyridinyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-[(4-hydrazinyl-2-pyridinyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-[(4-hydrazinyl-2-pyridinyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is CC1(C)C(=O)N(Cc2cc(NN)ccn2)S1(=O)=O.
What is the InChIKey of 2-[(4-hydrazinyl-2-pyridinyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is MRIOEJBWHCJZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c1-10(2)9(15)14(18(10,16)17)6-8-5-7(13-11)3-4-12-8/h3-5H,6,11H2,1-2H3,(H,12,13).
What are the key properties of 2-[(4-hydrazinyl-2-pyridinyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-[(4-hydrazinyl-2-pyridinyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 270.31 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydrazinyl-2-pyridinyl)methyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 79886082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).