2-[4-[(2-oxo-1,3-thiazol-3-yl)methyl]phenyl]propanehydrazide

C13H15N3O2S — CID 105352208

IUPAC2-[4-[(2-oxo-1,3-thiazol-3-yl)methyl]phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(Cn2ccsc2=O)cc1
InChIInChI=1S/C13H15N3O2S/c1-9(12(17)15-14)11-4-2-10(3-5-11)8-16-6-7-19-13(16)18/h2-7,9H,8,14H2,1H3,(H,15,17)
InChIKeyOSNAZZNFSHKWHA-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.05
Rot. Bonds4

About 2-[4-[(2-oxo-1,3-thiazol-3-yl)methyl]phenyl]propanehydrazide

2-[4-[(2-oxo-1,3-thiazol-3-yl)methyl]phenyl]propanehydrazide (PubChem CID 105352208) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[4-[(2-oxo-1,3-thiazol-3-yl)methyl]phenyl]propanehydrazide.

Molecular Properties

Compound Name2-[4-[(2-oxo-1,3-thiazol-3-yl)methyl]phenyl]propanehydrazide
PubChem CID105352208
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-[4-[(2-oxo-1,3-thiazol-3-yl)methyl]phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(Cn2ccsc2=O)cc1
InChIInChI=1S/C13H15N3O2S/c1-9(12(17)15-14)11-4-2-10(3-5-11)8-16-6-7-19-13(16)18/h2-7,9H,8,14H2,1H3,(H,15,17)
InChIKeyOSNAZZNFSHKWHA-UHFFFAOYSA-N
XLogP1.05
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-[4-[(3-ethyl-2-oxoimidazol-1-yl)methyl]phenyl]propanehydrazide
CID 105352291
2-[4-[(2,4-dioxopyrimidin-1-yl)methyl]phenyl]propanehydrazide
CID 105352171
2-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]propanehydrazide
CID 105352178
2-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]propanehydrazide
CID 105352128
2-[4-[(2-cyanoimidazol-1-yl)methyl]phenyl]propanehydrazide
CID 105352289
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
5-[(2-oxo-1,3-thiazol-3-yl)methyl]furan-2-carbohydrazide
CID 63578720
2-[4-(methoxymethyl)phenyl]propanehydrazide
CID 105351367
2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]propanehydrazide
CID 105352253
2-[4-(ethylsulfanylmethyl)phenyl]propanehydrazide
CID 105352360
2-[4-(1,4-diazepan-1-ylmethyl)phenyl]propanehydrazide
CID 105351905
2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]propanehydrazide
CID 105352099

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-oxo-1,3-thiazol-3-yl)methyl]phenyl]propanehydrazide?
The IUPAC name of 2-[4-[(2-oxo-1,3-thiazol-3-yl)methyl]phenyl]propanehydrazide (CID 105352208) is 2-[4-[(2-oxo-1,3-thiazol-3-yl)methyl]phenyl]propanehydrazide.
What is the SMILES notation for 2-[4-[(2-oxo-1,3-thiazol-3-yl)methyl]phenyl]propanehydrazide?
The canonical SMILES for 2-[4-[(2-oxo-1,3-thiazol-3-yl)methyl]phenyl]propanehydrazide is CC(C(=O)NN)c1ccc(Cn2ccsc2=O)cc1.
What is the InChIKey of 2-[4-[(2-oxo-1,3-thiazol-3-yl)methyl]phenyl]propanehydrazide?
The InChIKey is OSNAZZNFSHKWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9(12(17)15-14)11-4-2-10(3-5-11)8-16-6-7-19-13(16)18/h2-7,9H,8,14H2,1H3,(H,15,17).
What are the key properties of 2-[4-[(2-oxo-1,3-thiazol-3-yl)methyl]phenyl]propanehydrazide?
2-[4-[(2-oxo-1,3-thiazol-3-yl)methyl]phenyl]propanehydrazide has a molecular weight of 277.35 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-oxo-1,3-thiazol-3-yl)methyl]phenyl]propanehydrazide is sourced from PubChem (CID 105352208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).