6-phenyl-5-[4-[[4-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3,4]thiadiazole

C27H24N8S2 — CID 67028287

IUPAC6-phenyl-5-[4-[[4-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESc1ccc(-c2nc3scnn3c2-c2ccc(CN3CCC(c4nc(-c5nccs5)n[nH]4)CC3)cc2)cc1
InChIInChI=1S/C27H24N8S2/c1-2-4-19(5-3-1)22-23(35-27(30-22)37-17-29-35)20-8-6-18(7-9-20)16-34-13-10-21(11-14-34)24-31-25(33-32-24)26-28-12-15-36-26/h1-9,12,15,17,21H,10-11,13-14,16H2,(H,31,32,33)
InChIKeyZFAMEVWQIRDYFM-UHFFFAOYSA-N
MW524.68 g/mol
LogP5.75
Rot. Bonds6

About 6-phenyl-5-[4-[[4-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3,4]thiadiazole

6-phenyl-5-[4-[[4-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 67028287) has the molecular formula C27H24N8S2 and a molecular weight of 524.68 g/mol. Its IUPAC name is 6-phenyl-5-[4-[[4-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-phenyl-5-[4-[[4-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID67028287
Molecular FormulaC27H24N8S2
Molecular Weight524.68 g/mol
Exact Mass524.16
IUPAC Name6-phenyl-5-[4-[[4-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESc1ccc(-c2nc3scnn3c2-c2ccc(CN3CCC(c4nc(-c5nccs5)n[nH]4)CC3)cc2)cc1
InChIInChI=1S/C27H24N8S2/c1-2-4-19(5-3-1)22-23(35-27(30-22)37-17-29-35)20-8-6-18(7-9-20)16-34-13-10-21(11-14-34)24-31-25(33-32-24)26-28-12-15-36-26/h1-9,12,15,17,21H,10-11,13-14,16H2,(H,31,32,33)
InChIKeyZFAMEVWQIRDYFM-UHFFFAOYSA-N
XLogP5.75
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.68
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-phenyl-5-[4-[[4-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3,4]thiadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-5-[4-[[4-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-phenyl-5-[4-[[4-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3,4]thiadiazole (CID 67028287) is 6-phenyl-5-[4-[[4-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-phenyl-5-[4-[[4-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-phenyl-5-[4-[[4-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3,4]thiadiazole is c1ccc(-c2nc3scnn3c2-c2ccc(CN3CCC(c4nc(-c5nccs5)n[nH]4)CC3)cc2)cc1.
What is the InChIKey of 6-phenyl-5-[4-[[4-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is ZFAMEVWQIRDYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N8S2/c1-2-4-19(5-3-1)22-23(35-27(30-22)37-17-29-35)20-8-6-18(7-9-20)16-34-13-10-21(11-14-34)24-31-25(33-32-24)26-28-12-15-36-26/h1-9,12,15,17,21H,10-11,13-14,16H2,(H,31,32,33).
What are the key properties of 6-phenyl-5-[4-[[4-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3,4]thiadiazole?
6-phenyl-5-[4-[[4-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 524.68 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-5-[4-[[4-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 67028287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).