3-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-methyl-1,3-thiazol-2-one

C11H12N4O3S — CID 55050806

IUPAC3-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1Cc1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C11H12N4O3S/c1-7-6-19-11(16)14(7)5-8-2-3-9(13-12)10(4-8)15(17)18/h2-4,6,13H,5,12H2,1H3
InChIKeyPZFGNWNSHJPWPY-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.46
Rot. Bonds4

About 3-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-methyl-1,3-thiazol-2-one

3-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 55050806) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 3-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-methyl-1,3-thiazol-2-one
PubChem CID55050806
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name3-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1Cc1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C11H12N4O3S/c1-7-6-19-11(16)14(7)5-8-2-3-9(13-12)10(4-8)15(17)18/h2-4,6,13H,5,12H2,1H3
InChIKeyPZFGNWNSHJPWPY-UHFFFAOYSA-N
XLogP1.46
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-(ethylamino)-3-nitrophenyl]methyl]-4-methyl-1,3-thiazol-2-one
CID 62209731
1-[(4-hydrazinyl-3-nitrophenyl)methyl]-3-methylpyridin-2-one
CID 63172395
1-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512786
[2-nitro-4-(thiomorpholin-4-ylmethyl)phenyl]hydrazine
CID 62245555
1-[(4-hydrazinyl-3-nitrophenyl)methyl]pyridin-2-one
CID 62246151
[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine
CID 104968907
1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one
CID 62245598
4-[(4-hydrazinyl-3-nitrophenyl)methyl]morpholin-3-one
CID 79469112
1-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 62244541
1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-4-ol
CID 62244985
[4-[(3-methylpiperidin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 55051092
[4-[(3-ethylpyrrolidin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 113418785

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-methyl-1,3-thiazol-2-one (CID 55050806) is 3-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1Cc1ccc(NN)c([N+](=O)[O-])c1.
What is the InChIKey of 3-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is PZFGNWNSHJPWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-7-6-19-11(16)14(7)5-8-2-3-9(13-12)10(4-8)15(17)18/h2-4,6,13H,5,12H2,1H3.
What are the key properties of 3-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-methyl-1,3-thiazol-2-one?
3-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 280.31 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 55050806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).