N-[[1-(1,3-benzothiazole-5-carbonyl)piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide

C20H23N5O2S — CID 131904208

IUPACN-[[1-(1,3-benzothiazole-5-carbonyl)piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide
SMILESCc1nccn1CC(=O)NCC1CCN(C(=O)c2ccc3scnc3c2)CC1
InChIInChI=1S/C20H23N5O2S/c1-14-21-6-9-25(14)12-19(26)22-11-15-4-7-24(8-5-15)20(27)16-2-3-18-17(10-16)23-13-28-18/h2-3,6,9-10,13,15H,4-5,7-8,11-12H2,1H3,(H,22,26)
InChIKeyROLFCNCOWDHVRN-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.47
Rot. Bonds5

About N-[[1-(1,3-benzothiazole-5-carbonyl)piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide

N-[[1-(1,3-benzothiazole-5-carbonyl)piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide (PubChem CID 131904208) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[[1-(1,3-benzothiazole-5-carbonyl)piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(1,3-benzothiazole-5-carbonyl)piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide
PubChem CID131904208
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC NameN-[[1-(1,3-benzothiazole-5-carbonyl)piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide
SMILESCc1nccn1CC(=O)NCC1CCN(C(=O)c2ccc3scnc3c2)CC1
InChIInChI=1S/C20H23N5O2S/c1-14-21-6-9-25(14)12-19(26)22-11-15-4-7-24(8-5-15)20(27)16-2-3-18-17(10-16)23-13-28-18/h2-3,6,9-10,13,15H,4-5,7-8,11-12H2,1H3,(H,22,26)
InChIKeyROLFCNCOWDHVRN-UHFFFAOYSA-N
XLogP2.47
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(1,3-benzothiazole-5-carbonyl)piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,3-benzothiazole-5-carbonyl)piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide?
The IUPAC name of N-[[1-(1,3-benzothiazole-5-carbonyl)piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide (CID 131904208) is N-[[1-(1,3-benzothiazole-5-carbonyl)piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide.
What is the SMILES notation for N-[[1-(1,3-benzothiazole-5-carbonyl)piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide?
The canonical SMILES for N-[[1-(1,3-benzothiazole-5-carbonyl)piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide is Cc1nccn1CC(=O)NCC1CCN(C(=O)c2ccc3scnc3c2)CC1.
What is the InChIKey of N-[[1-(1,3-benzothiazole-5-carbonyl)piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide?
The InChIKey is ROLFCNCOWDHVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-14-21-6-9-25(14)12-19(26)22-11-15-4-7-24(8-5-15)20(27)16-2-3-18-17(10-16)23-13-28-18/h2-3,6,9-10,13,15H,4-5,7-8,11-12H2,1H3,(H,22,26).
What are the key properties of N-[[1-(1,3-benzothiazole-5-carbonyl)piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide?
N-[[1-(1,3-benzothiazole-5-carbonyl)piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide has a molecular weight of 397.50 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,3-benzothiazole-5-carbonyl)piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide is sourced from PubChem (CID 131904208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).