1-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylhydrazine;hydrochloride

C9H12ClN3S — CID 21413051

IUPAC1-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylhydrazine;hydrochloride
SMILESCl.c1ccc(NNC2=NCCS2)cc1
InChIInChI=1S/C9H11N3S.ClH/c1-2-4-8(5-3-1)11-12-9-10-6-7-13-9;/h1-5,11H,6-7H2,(H,10,12);1H
InChIKeyWIDXOYJUIIXHOP-UHFFFAOYSA-N
MW229.74 g/mol
LogP2.13
Rot. Bonds2

About 1-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylhydrazine;hydrochloride

1-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylhydrazine;hydrochloride (PubChem CID 21413051) has the molecular formula C9H12ClN3S and a molecular weight of 229.74 g/mol. Its IUPAC name is 1-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylhydrazine;hydrochloride.

Molecular Properties

Compound Name1-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylhydrazine;hydrochloride
PubChem CID21413051
Molecular FormulaC9H12ClN3S
Molecular Weight229.74 g/mol
Exact Mass229.04
IUPAC Name1-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylhydrazine;hydrochloride
SMILESCl.c1ccc(NNC2=NCCS2)cc1
InChIInChI=1S/C9H11N3S.ClH/c1-2-4-8(5-3-1)11-12-9-10-6-7-13-9;/h1-5,11H,6-7H2,(H,10,12);1H
InChIKeyWIDXOYJUIIXHOP-UHFFFAOYSA-N
XLogP2.13
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.74
LogP ≤ 52.13
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-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylhydrazine;hydrochloride?
The IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylhydrazine;hydrochloride (CID 21413051) is 1-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylhydrazine;hydrochloride.
What is the SMILES notation for 1-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylhydrazine;hydrochloride?
The canonical SMILES for 1-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylhydrazine;hydrochloride is Cl.c1ccc(NNC2=NCCS2)cc1.
What is the InChIKey of 1-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylhydrazine;hydrochloride?
The InChIKey is WIDXOYJUIIXHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S.ClH/c1-2-4-8(5-3-1)11-12-9-10-6-7-13-9;/h1-5,11H,6-7H2,(H,10,12);1H.
What are the key properties of 1-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylhydrazine;hydrochloride?
1-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylhydrazine;hydrochloride has a molecular weight of 229.74 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylhydrazine;hydrochloride is sourced from PubChem (CID 21413051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).