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

C27H24N8OS — CID 25185080

IUPAC2-[6-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,3-oxazole
SMILESc1ccc(-c2n[nH]c(C3CCN(Cc4ccc(-c5nc6sccn6c5-c5ncco5)cc4)CC3)n2)nc1
InChIInChI=1S/C27H24N8OS/c1-2-10-28-21(3-1)25-31-24(32-33-25)20-8-12-34(13-9-20)17-18-4-6-19(7-5-18)22-23(26-29-11-15-36-26)35-14-16-37-27(35)30-22/h1-7,10-11,14-16,20H,8-9,12-13,17H2,(H,31,32,33)
InChIKeyYTEWHMASZZHRNY-UHFFFAOYSA-N
MW508.61 g/mol
LogP5.28
Rot. Bonds6

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

2-[6-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,3-oxazole (PubChem CID 25185080) has the molecular formula C27H24N8OS and a molecular weight of 508.61 g/mol. Its IUPAC name is 2-[6-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[6-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,3-oxazole
PubChem CID25185080
Molecular FormulaC27H24N8OS
Molecular Weight508.61 g/mol
Exact Mass508.18
IUPAC Name2-[6-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,3-oxazole
SMILESc1ccc(-c2n[nH]c(C3CCN(Cc4ccc(-c5nc6sccn6c5-c5ncco5)cc4)CC3)n2)nc1
InChIInChI=1S/C27H24N8OS/c1-2-10-28-21(3-1)25-31-24(32-33-25)20-8-12-34(13-9-20)17-18-4-6-19(7-5-18)22-23(26-29-11-15-36-26)35-14-16-37-27(35)30-22/h1-7,10-11,14-16,20H,8-9,12-13,17H2,(H,31,32,33)
InChIKeyYTEWHMASZZHRNY-UHFFFAOYSA-N
XLogP5.28
TPSA101.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.61
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine
CID 25175139
2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-3-thiophen-3-ylimidazo[1,2-a]pyrimidine
CID 25188957
6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 67027927
3-(2-fluorophenyl)-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine
CID 141233448
6-bromo-3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine
CID 25187588
5-phenyl-6-[4-[[4-(3-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3,4]thiadiazole
CID 25188141
5-phenyl-N-pyridin-2-yl-4-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrimidin-2-amine
CID 11513128
2-methyl-6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine
CID 168810806
5-phenyl-2-(pyridin-2-ylmethyl)-4-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrimidine
CID 123855538
5-phenyl-6-[4-[[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3,4]thiadiazole
CID 25187018
6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 25189614
ethane;2-methoxy-6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine
CID 143208182

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,3-oxazole?
The IUPAC name of 2-[6-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,3-oxazole (CID 25185080) is 2-[6-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,3-oxazole.
What is the SMILES notation for 2-[6-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,3-oxazole?
The canonical SMILES for 2-[6-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,3-oxazole is c1ccc(-c2n[nH]c(C3CCN(Cc4ccc(-c5nc6sccn6c5-c5ncco5)cc4)CC3)n2)nc1.
What is the InChIKey of 2-[6-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,3-oxazole?
The InChIKey is YTEWHMASZZHRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N8OS/c1-2-10-28-21(3-1)25-31-24(32-33-25)20-8-12-34(13-9-20)17-18-4-6-19(7-5-18)22-23(26-29-11-15-36-26)35-14-16-37-27(35)30-22/h1-7,10-11,14-16,20H,8-9,12-13,17H2,(H,31,32,33).
What are the key properties of 2-[6-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,3-oxazole?
2-[6-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,3-oxazole has a molecular weight of 508.61 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-1,3-oxazole is sourced from PubChem (CID 25185080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).