bis[[2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetyl]oxy]lead

C34H22Cl2N2O4PbS2 — CID 16687384

IUPACbis[[2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetyl]oxy]lead
SMILESO=C(Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1)O[Pb]OC(=O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/2C17H12ClNO2S.Pb/c2*18-13-8-6-11(7-9-13)16-14(10-15(20)21)22-17(19-16)12-4-2-1-3-5-12;/h2*1-9H,10H2,(H,20,21);/q;;+2/p-2
InChIKeyREGXTNPULHDQCV-UHFFFAOYSA-L
MW864.80 g/mol
LogP8.98
Rot. Bonds10

About bis[[2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetyl]oxy]lead

bis[[2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetyl]oxy]lead (PubChem CID 16687384) has the molecular formula C34H22Cl2N2O4PbS2 and a molecular weight of 864.80 g/mol. Its IUPAC name is bis[[2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetyl]oxy]lead.

Molecular Properties

Compound Namebis[[2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetyl]oxy]lead
PubChem CID16687384
Molecular FormulaC34H22Cl2N2O4PbS2
Molecular Weight864.80 g/mol
Exact Mass864.02
IUPAC Namebis[[2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetyl]oxy]lead
SMILESO=C(Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1)O[Pb]OC(=O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/2C17H12ClNO2S.Pb/c2*18-13-8-6-11(7-9-13)16-14(10-15(20)21)22-17(19-16)12-4-2-1-3-5-12;/h2*1-9H,10H2,(H,20,21);/q;;+2/p-2
InChIKeyREGXTNPULHDQCV-UHFFFAOYSA-L
XLogP8.98
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.80
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 35211552
2-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid
CID 59384906
methyl 4-[5-(2-methoxy-2-oxoethyl)-4-phenyl-1,3-thiazol-2-yl]benzoate
CID 1472843
5-(chloromethyl)-2,4-diphenyl-1,3-thiazole
CID 28709890
2-[2-(2,4-dichlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 159765786
2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]acetic acid
CID 154363492
2-[4-(2-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetic acid
CID 160806003
5-(chloromethyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole
CID 28709905
2-(4-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazole
CID 3617286
2-[4-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 46230235
4-(4-chlorophenyl)-2-phenyl-5-(2H-tetrazol-5-ylmethyl)-1,3-thiazole
CID 95560849
2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 69180187

Frequently Asked Questions

What is the IUPAC name of bis[[2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetyl]oxy]lead?
The IUPAC name of bis[[2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetyl]oxy]lead (CID 16687384) is bis[[2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetyl]oxy]lead.
What is the SMILES notation for bis[[2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetyl]oxy]lead?
The canonical SMILES for bis[[2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetyl]oxy]lead is O=C(Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1)O[Pb]OC(=O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of bis[[2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetyl]oxy]lead?
The InChIKey is REGXTNPULHDQCV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C17H12ClNO2S.Pb/c2*18-13-8-6-11(7-9-13)16-14(10-15(20)21)22-17(19-16)12-4-2-1-3-5-12;/h2*1-9H,10H2,(H,20,21);/q;;+2/p-2.
What are the key properties of bis[[2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetyl]oxy]lead?
bis[[2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetyl]oxy]lead has a molecular weight of 864.80 g/mol, XLogP of 8.98, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetyl]oxy]lead is sourced from PubChem (CID 16687384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).