(Z)-(3-phenyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrochloride

C13H12ClN3S — CID 56642950

IUPAC(Z)-(3-phenyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrochloride
SMILESCl.N/N=c1\sc2ccccc2n1-c1ccccc1
InChIInChI=1S/C13H11N3S.ClH/c14-15-13-16(10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-13;/h1-9H,14H2;1H/b15-13-;
InChIKeyJLSWXDZZMKKRNZ-ZDCVYKBASA-N
MW277.78 g/mol
LogP2.89
Rot. Bonds1

About (Z)-(3-phenyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrochloride

(Z)-(3-phenyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrochloride (PubChem CID 56642950) has the molecular formula C13H12ClN3S and a molecular weight of 277.78 g/mol. Its IUPAC name is (Z)-(3-phenyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrochloride.

Molecular Properties

Compound Name(Z)-(3-phenyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrochloride
PubChem CID56642950
Molecular FormulaC13H12ClN3S
Molecular Weight277.78 g/mol
Exact Mass277.04
IUPAC Name(Z)-(3-phenyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrochloride
SMILESCl.N/N=c1\sc2ccccc2n1-c1ccccc1
InChIInChI=1S/C13H11N3S.ClH/c14-15-13-16(10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-13;/h1-9H,14H2;1H/b15-13-;
InChIKeyJLSWXDZZMKKRNZ-ZDCVYKBASA-N
XLogP2.89
TPSA43.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;propanal
CID 175534018
dibenzothiophene;9-phenylcarbazole
CID 142415981
6-methyl-N,3-diphenyl-1,3-benzothiazol-2-imine
CID 14690176
3-[(2Z)-2-hydrazinylidene-1,3-benzothiazol-3-yl]propanehydrazide
CID 6886321
3-(4-bromophenyl)-1,3-benzothiazol-2-one
CID 162440186
1,3-diphenylbenzimidazol-2-one
CID 22323486
bis(dibenzofuran);dibenzothiophene;ethane;9-phenylcarbazole
CID 167619791
[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]thiourea
CID 5407964
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
[(3-methyl-1,3-benzothiazol-2-ylidene)amino]thiourea
CID 798473
3-methyl-N-(1-phenylethylideneamino)-1,3-benzothiazol-2-imine
CID 624557
22-phenyl-9-thia-22-azahexacyclo[17.2.1.02,10.03,8.012,21.015,20]docosa-1(21),2(10),3,5,7,11,13,15(20),16,18-decaene
CID 130342497

Frequently Asked Questions

What is the IUPAC name of (Z)-(3-phenyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrochloride?
The IUPAC name of (Z)-(3-phenyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrochloride (CID 56642950) is (Z)-(3-phenyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrochloride.
What is the SMILES notation for (Z)-(3-phenyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrochloride?
The canonical SMILES for (Z)-(3-phenyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrochloride is Cl.N/N=c1\sc2ccccc2n1-c1ccccc1.
What is the InChIKey of (Z)-(3-phenyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrochloride?
The InChIKey is JLSWXDZZMKKRNZ-ZDCVYKBASA-N. The full InChI is InChI=1S/C13H11N3S.ClH/c14-15-13-16(10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-13;/h1-9H,14H2;1H/b15-13-;.
What are the key properties of (Z)-(3-phenyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrochloride?
(Z)-(3-phenyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrochloride has a molecular weight of 277.78 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(3-phenyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrochloride is sourced from PubChem (CID 56642950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).