N-[6-(4-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazine-2-carboxamide

C21H21N7OS — CID 53206338

IUPACN-[6-(4-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazine-2-carboxamide
SMILESCc1ccc(-c2nc3sc(N4CCCCC4)nn3c2NC(=O)c2cnccn2)cc1
InChIInChI=1S/C21H21N7OS/c1-14-5-7-15(8-6-14)17-18(25-19(29)16-13-22-9-10-23-16)28-20(24-17)30-21(26-28)27-11-3-2-4-12-27/h5-10,13H,2-4,11-12H2,1H3,(H,25,29)
InChIKeyPUHBGQRZZSTDQV-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.80
Rot. Bonds4

About N-[6-(4-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazine-2-carboxamide

N-[6-(4-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazine-2-carboxamide (PubChem CID 53206338) has the molecular formula C21H21N7OS and a molecular weight of 419.51 g/mol. Its IUPAC name is N-[6-(4-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazine-2-carboxamide
PubChem CID53206338
Molecular FormulaC21H21N7OS
Molecular Weight419.51 g/mol
Exact Mass419.15
IUPAC NameN-[6-(4-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazine-2-carboxamide
SMILESCc1ccc(-c2nc3sc(N4CCCCC4)nn3c2NC(=O)c2cnccn2)cc1
InChIInChI=1S/C21H21N7OS/c1-14-5-7-15(8-6-14)17-18(25-19(29)16-13-22-9-10-23-16)28-20(24-17)30-21(26-28)27-11-3-2-4-12-27/h5-10,13H,2-4,11-12H2,1H3,(H,25,29)
InChIKeyPUHBGQRZZSTDQV-UHFFFAOYSA-N
XLogP3.80
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[6-(4-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazine-2-carboxamide (CID 53206338) is N-[6-(4-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[6-(4-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[6-(4-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazine-2-carboxamide is Cc1ccc(-c2nc3sc(N4CCCCC4)nn3c2NC(=O)c2cnccn2)cc1.
What is the InChIKey of N-[6-(4-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazine-2-carboxamide?
The InChIKey is PUHBGQRZZSTDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7OS/c1-14-5-7-15(8-6-14)17-18(25-19(29)16-13-22-9-10-23-16)28-20(24-17)30-21(26-28)27-11-3-2-4-12-27/h5-10,13H,2-4,11-12H2,1H3,(H,25,29).
What are the key properties of N-[6-(4-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazine-2-carboxamide?
N-[6-(4-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazine-2-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 53206338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).