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

C31H28N6S — CID 67028084

IUPAC5-phenyl-6-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3]thiazole
SMILESc1ccc(-c2c(-c3ccc(CN4CCC(c5cc(-c6ccccn6)n[nH]5)CC4)cc3)nc3sccn23)cc1
InChIInChI=1S/C31H28N6S/c1-2-6-25(7-3-1)30-29(33-31-37(30)18-19-38-31)24-11-9-22(10-12-24)21-36-16-13-23(14-17-36)27-20-28(35-34-27)26-8-4-5-15-32-26/h1-12,15,18-20,23H,13-14,16-17,21H2,(H,34,35)
InChIKeyLEQNNDZEIDQCJJ-UHFFFAOYSA-N
MW516.67 g/mol
LogP6.89
Rot. Bonds6

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

5-phenyl-6-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 67028084) has the molecular formula C31H28N6S and a molecular weight of 516.67 g/mol. Its IUPAC name is 5-phenyl-6-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-phenyl-6-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3]thiazole
PubChem CID67028084
Molecular FormulaC31H28N6S
Molecular Weight516.67 g/mol
Exact Mass516.21
IUPAC Name5-phenyl-6-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3]thiazole
SMILESc1ccc(-c2c(-c3ccc(CN4CCC(c5cc(-c6ccccn6)n[nH]5)CC4)cc3)nc3sccn23)cc1
InChIInChI=1S/C31H28N6S/c1-2-6-25(7-3-1)30-29(33-31-37(30)18-19-38-31)24-11-9-22(10-12-24)21-36-16-13-23(14-17-36)27-20-28(35-34-27)26-8-4-5-15-32-26/h1-12,15,18-20,23H,13-14,16-17,21H2,(H,34,35)
InChIKeyLEQNNDZEIDQCJJ-UHFFFAOYSA-N
XLogP6.89
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.67
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-6-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-phenyl-6-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3]thiazole (CID 67028084) is 5-phenyl-6-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-phenyl-6-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-phenyl-6-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3]thiazole is c1ccc(-c2c(-c3ccc(CN4CCC(c5cc(-c6ccccn6)n[nH]5)CC4)cc3)nc3sccn23)cc1.
What is the InChIKey of 5-phenyl-6-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is LEQNNDZEIDQCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N6S/c1-2-6-25(7-3-1)30-29(33-31-37(30)18-19-38-31)24-11-9-22(10-12-24)21-36-16-13-23(14-17-36)27-20-28(35-34-27)26-8-4-5-15-32-26/h1-12,15,18-20,23H,13-14,16-17,21H2,(H,34,35).
What are the key properties of 5-phenyl-6-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3]thiazole?
5-phenyl-6-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 516.67 g/mol, XLogP of 6.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-6-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 67028084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).