1-benzoyl-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]piperidine-4-carboxamide

C20H23N5O2S — CID 53162999

IUPAC1-benzoyl-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1nn2c(CNC(=O)C3CCN(C(=O)c4ccccc4)CC3)c(C)nc2s1
InChIInChI=1S/C20H23N5O2S/c1-13-17(25-20(22-13)28-14(2)23-25)12-21-18(26)15-8-10-24(11-9-15)19(27)16-6-4-3-5-7-16/h3-7,15H,8-12H2,1-2H3,(H,21,26)
InChIKeyZGBVLKXFCHASCB-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.58
Rot. Bonds4

About 1-benzoyl-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]piperidine-4-carboxamide

1-benzoyl-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 53162999) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 1-benzoyl-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID53162999
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name1-benzoyl-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1nn2c(CNC(=O)C3CCN(C(=O)c4ccccc4)CC3)c(C)nc2s1
InChIInChI=1S/C20H23N5O2S/c1-13-17(25-20(22-13)28-14(2)23-25)12-21-18(26)15-8-10-24(11-9-15)19(27)16-6-4-3-5-7-16/h3-7,15H,8-12H2,1-2H3,(H,21,26)
InChIKeyZGBVLKXFCHASCB-UHFFFAOYSA-N
XLogP2.58
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]piperidine-4-carboxamide (CID 53162999) is 1-benzoyl-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]piperidine-4-carboxamide is Cc1nn2c(CNC(=O)C3CCN(C(=O)c4ccccc4)CC3)c(C)nc2s1.
What is the InChIKey of 1-benzoyl-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is ZGBVLKXFCHASCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-13-17(25-20(22-13)28-14(2)23-25)12-21-18(26)15-8-10-24(11-9-15)19(27)16-6-4-3-5-7-16/h3-7,15H,8-12H2,1-2H3,(H,21,26).
What are the key properties of 1-benzoyl-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]piperidine-4-carboxamide?
1-benzoyl-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 53162999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).