1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

C23H30N6O2S — CID 20906896

IUPAC1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESCc1ccc(-c2cn3nc(N4CCC(C(=O)NCCN5CCOCC5)CC4)sc3n2)cc1
InChIInChI=1S/C23H30N6O2S/c1-17-2-4-18(5-3-17)20-16-29-22(25-20)32-23(26-29)28-9-6-19(7-10-28)21(30)24-8-11-27-12-14-31-15-13-27/h2-5,16,19H,6-15H2,1H3,(H,24,30)
InChIKeyLAXSJBYXVQRSQZ-UHFFFAOYSA-N
MW454.60 g/mol
LogP2.43
Rot. Bonds6

About 1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (PubChem CID 20906896) has the molecular formula C23H30N6O2S and a molecular weight of 454.60 g/mol. Its IUPAC name is 1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
PubChem CID20906896
Molecular FormulaC23H30N6O2S
Molecular Weight454.60 g/mol
Exact Mass454.22
IUPAC Name1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESCc1ccc(-c2cn3nc(N4CCC(C(=O)NCCN5CCOCC5)CC4)sc3n2)cc1
InChIInChI=1S/C23H30N6O2S/c1-17-2-4-18(5-3-17)20-16-29-22(25-20)32-23(26-29)28-9-6-19(7-10-28)21(30)24-8-11-27-12-14-31-15-13-27/h2-5,16,19H,6-15H2,1H3,(H,24,30)
InChIKeyLAXSJBYXVQRSQZ-UHFFFAOYSA-N
XLogP2.43
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (CID 20906896) is 1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is Cc1ccc(-c2cn3nc(N4CCC(C(=O)NCCN5CCOCC5)CC4)sc3n2)cc1.
What is the InChIKey of 1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The InChIKey is LAXSJBYXVQRSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2S/c1-17-2-4-18(5-3-17)20-16-29-22(25-20)32-23(26-29)28-9-6-19(7-10-28)21(30)24-8-11-27-12-14-31-15-13-27/h2-5,16,19H,6-15H2,1H3,(H,24,30).
What are the key properties of 1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide has a molecular weight of 454.60 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 20906896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).