1-(cyclopenten-1-yl)-2-(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazine

C12H13N3O2S — CID 5190947

IUPAC1-(cyclopenten-1-yl)-2-(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazine
SMILESO=S1(=O)N=C(NNC2=CCCC2)c2ccccc21
InChIInChI=1S/C12H13N3O2S/c16-18(17)11-8-4-3-7-10(11)12(15-18)14-13-9-5-1-2-6-9/h3-5,7-8,13H,1-2,6H2,(H,14,15)
InChIKeyHZOSYJQAFZKYTB-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.30
Rot. Bonds2

About 1-(cyclopenten-1-yl)-2-(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazine

1-(cyclopenten-1-yl)-2-(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazine (PubChem CID 5190947) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-2-(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazine.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-2-(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazine
PubChem CID5190947
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name1-(cyclopenten-1-yl)-2-(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazine
SMILESO=S1(=O)N=C(NNC2=CCCC2)c2ccccc21
InChIInChI=1S/C12H13N3O2S/c16-18(17)11-8-4-3-7-10(11)12(15-18)14-13-9-5-1-2-6-9/h3-5,7-8,13H,1-2,6H2,(H,14,15)
InChIKeyHZOSYJQAFZKYTB-UHFFFAOYSA-N
XLogP1.30
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-2-(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazine?
The IUPAC name of 1-(cyclopenten-1-yl)-2-(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazine (CID 5190947) is 1-(cyclopenten-1-yl)-2-(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazine.
What is the SMILES notation for 1-(cyclopenten-1-yl)-2-(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazine?
The canonical SMILES for 1-(cyclopenten-1-yl)-2-(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazine is O=S1(=O)N=C(NNC2=CCCC2)c2ccccc21.
What is the InChIKey of 1-(cyclopenten-1-yl)-2-(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazine?
The InChIKey is HZOSYJQAFZKYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c16-18(17)11-8-4-3-7-10(11)12(15-18)14-13-9-5-1-2-6-9/h3-5,7-8,13H,1-2,6H2,(H,14,15).
What are the key properties of 1-(cyclopenten-1-yl)-2-(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazine?
1-(cyclopenten-1-yl)-2-(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazine has a molecular weight of 263.32 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-2-(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazine is sourced from PubChem (CID 5190947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).