6-(4-chlorophenyl)-5-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]imidazo[2,1-b][1,3]thiazole

C21H12Cl3N3S2 — CID 155254978

IUPAC6-(4-chlorophenyl)-5-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]imidazo[2,1-b][1,3]thiazole
SMILESClc1ccc(-c2nc3sccn3c2-c2csc(Cc3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C21H12Cl3N3S2/c22-14-4-2-13(3-5-14)19-20(27-7-8-28-21(27)26-19)17-11-29-18(25-17)10-12-1-6-15(23)16(24)9-12/h1-9,11H,10H2
InChIKeyFPYIFBBFMFXDEE-UHFFFAOYSA-N
MW476.84 g/mol
LogP7.74
Rot. Bonds4

About 6-(4-chlorophenyl)-5-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]imidazo[2,1-b][1,3]thiazole

6-(4-chlorophenyl)-5-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]imidazo[2,1-b][1,3]thiazole (PubChem CID 155254978) has the molecular formula C21H12Cl3N3S2 and a molecular weight of 476.84 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]imidazo[2,1-b][1,3]thiazole
PubChem CID155254978
Molecular FormulaC21H12Cl3N3S2
Molecular Weight476.84 g/mol
Exact Mass474.95
IUPAC Name6-(4-chlorophenyl)-5-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]imidazo[2,1-b][1,3]thiazole
SMILESClc1ccc(-c2nc3sccn3c2-c2csc(Cc3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C21H12Cl3N3S2/c22-14-4-2-13(3-5-14)19-20(27-7-8-28-21(27)26-19)17-11-29-18(25-17)10-12-1-6-15(23)16(24)9-12/h1-9,11H,10H2
InChIKeyFPYIFBBFMFXDEE-UHFFFAOYSA-N
XLogP7.74
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.84
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(4-chlorophenyl)-5-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]imidazo[2,1-b][1,3]thiazole (CID 155254978) is 6-(4-chlorophenyl)-5-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(4-chlorophenyl)-5-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(4-chlorophenyl)-5-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]imidazo[2,1-b][1,3]thiazole is Clc1ccc(-c2nc3sccn3c2-c2csc(Cc3ccc(Cl)c(Cl)c3)n2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-5-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is FPYIFBBFMFXDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl3N3S2/c22-14-4-2-13(3-5-14)19-20(27-7-8-28-21(27)26-19)17-11-29-18(25-17)10-12-1-6-15(23)16(24)9-12/h1-9,11H,10H2.
What are the key properties of 6-(4-chlorophenyl)-5-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]imidazo[2,1-b][1,3]thiazole?
6-(4-chlorophenyl)-5-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 476.84 g/mol, XLogP of 7.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 155254978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).