bis((3-methyl-1,3-thiazol-3-ium-2-yl)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)diazene);tetrachlorozinc(2-)

C30H24Cl4N10S4Zn — CID 74934247

IUPACbis((3-methyl-1,3-thiazol-3-ium-2-yl)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)diazene);tetrachlorozinc(2-)
SMILESC[n+]1ccsc1N=Nc1c(-c2ccccc2)nc2sccn12.C[n+]1ccsc1N=Nc1c(-c2ccccc2)nc2sccn12.Cl[Zn-2](Cl)(Cl)Cl
InChIInChI=1S/2C15H12N5S2.4ClH.Zn/c2*1-19-7-9-22-15(19)18-17-13-12(11-5-3-2-4-6-11)16-14-20(13)8-10-21-14;;;;;/h2*2-10H,1H3;4*1H;/q2*+1;;;;;+2/p-4
InChIKeyXVZZOEFKKDVDNZ-UHFFFAOYSA-J
MW860.06 g/mol
LogP11.48
Rot. Bonds6

About bis((3-methyl-1,3-thiazol-3-ium-2-yl)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)diazene);tetrachlorozinc(2-)

bis((3-methyl-1,3-thiazol-3-ium-2-yl)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)diazene);tetrachlorozinc(2-) (PubChem CID 74934247) has the molecular formula C30H24Cl4N10S4Zn and a molecular weight of 860.06 g/mol. Its IUPAC name is bis((3-methyl-1,3-thiazol-3-ium-2-yl)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)diazene);tetrachlorozinc(2-).

Molecular Properties

Compound Namebis((3-methyl-1,3-thiazol-3-ium-2-yl)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)diazene);tetrachlorozinc(2-)
PubChem CID74934247
Molecular FormulaC30H24Cl4N10S4Zn
Molecular Weight860.06 g/mol
Exact Mass855.91
IUPAC Namebis((3-methyl-1,3-thiazol-3-ium-2-yl)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)diazene);tetrachlorozinc(2-)
SMILESC[n+]1ccsc1N=Nc1c(-c2ccccc2)nc2sccn12.C[n+]1ccsc1N=Nc1c(-c2ccccc2)nc2sccn12.Cl[Zn-2](Cl)(Cl)Cl
InChIInChI=1S/2C15H12N5S2.4ClH.Zn/c2*1-19-7-9-22-15(19)18-17-13-12(11-5-3-2-4-6-11)16-14-20(13)8-10-21-14;;;;;/h2*2-10H,1H3;4*1H;/q2*+1;;;;;+2/p-4
InChIKeyXVZZOEFKKDVDNZ-UHFFFAOYSA-J
XLogP11.48
TPSA91.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500860.06
LogP ≤ 511.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-Methylsulfanylbenzimidazol-1-yl)-6-phenylimidazo[2,1-b][1,3]thiazole
CID 156010770
5-[(1-Cyclopentyltetrazol-5-yl)sulfanylmethyl]-6-phenylimidazo[2,1-b][1,3]thiazole
CID 16374154
N2,N4-bis[(E)-[4-(7-methylimidazo[2,1-b]thiazol-6-yl)phenyl]methyleneamino]pyrimidine-2,4-diamine
CID 9573915
1,3-bis[(E)-[4-(7-methylimidazo[2,1-b]thiazol-7-ium-6-yl)phenyl]methyleneamino]thiourea
CID 9574783
N'-[(E)-[4-(7-methylimidazo[2,1-b][1,3]thiazol-4-ium-6-yl)phenyl]methylideneamino]pyrrolidine-1-carboximidamide;bromide;hydrobromide
CID 53321717
4-[(E)-[4-(7-methylimidazo[2,1-b]thiazol-7-ium-6-yl)phenyl]methyleneamino]-3-[(2Z)-2-[[4-(7-methylimidazo[2,1-b]thiazol-7-ium-6-yl)phenyl]methylene]hydrazino]-1H-1,2,4-triazole-5-thione
CID 176468629
5,6-Diphenylimidazo[2,1-b][1,3]thiazole
CID 21392788
1H-1,2,4-Triazolium, 1,2-dimethyl-3-(2-(6-phenylimidazo(2,1-b)thiazol-5-yl)diazenyl)-, chloride (1:1)
CID 113038
Thiazolium, 3-methyl-2-(2-(6-phenylimidazo(2,1-b)thiazol-5-yl)diazenyl)-, (T-4)-tetrachlorozincate(2-) (2:1)
CID 136086464
6-[4-Ethyl-2-(4-fluoro-2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-(2-imidazo[2,1-b][1,3]thiazol-6-yl-5-methylphenyl)phenyl]-2-methylimidazo[2,1-b][1,3]thiazole
CID 164581217
6-(4-Fluorophenyl)-7-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-5-methylimidazo[2,1-b][1,3]thiazol-7-ium
CID 164581302
2-[Ethyl-(6-ethylimidazo[2,1-b][1,3]thiazol-5-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 175735755

Frequently Asked Questions

What is the IUPAC name of bis((3-methyl-1,3-thiazol-3-ium-2-yl)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)diazene);tetrachlorozinc(2-)?
The IUPAC name of bis((3-methyl-1,3-thiazol-3-ium-2-yl)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)diazene);tetrachlorozinc(2-) (CID 74934247) is bis((3-methyl-1,3-thiazol-3-ium-2-yl)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)diazene);tetrachlorozinc(2-).
What is the SMILES notation for bis((3-methyl-1,3-thiazol-3-ium-2-yl)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)diazene);tetrachlorozinc(2-)?
The canonical SMILES for bis((3-methyl-1,3-thiazol-3-ium-2-yl)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)diazene);tetrachlorozinc(2-) is C[n+]1ccsc1N=Nc1c(-c2ccccc2)nc2sccn12.C[n+]1ccsc1N=Nc1c(-c2ccccc2)nc2sccn12.Cl[Zn-2](Cl)(Cl)Cl.
What is the InChIKey of bis((3-methyl-1,3-thiazol-3-ium-2-yl)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)diazene);tetrachlorozinc(2-)?
The InChIKey is XVZZOEFKKDVDNZ-UHFFFAOYSA-J. The full InChI is InChI=1S/2C15H12N5S2.4ClH.Zn/c2*1-19-7-9-22-15(19)18-17-13-12(11-5-3-2-4-6-11)16-14-20(13)8-10-21-14;;;;;/h2*2-10H,1H3;4*1H;/q2*+1;;;;;+2/p-4.
What are the key properties of bis((3-methyl-1,3-thiazol-3-ium-2-yl)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)diazene);tetrachlorozinc(2-)?
bis((3-methyl-1,3-thiazol-3-ium-2-yl)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)diazene);tetrachlorozinc(2-) has a molecular weight of 860.06 g/mol, XLogP of 11.48, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis((3-methyl-1,3-thiazol-3-ium-2-yl)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)diazene);tetrachlorozinc(2-) is sourced from PubChem (CID 74934247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).