N-(2-aminophenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide

C22H24N4OS — CID 25023854

IUPACN-(2-aminophenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(-c2ncc(CN3CCCCC3)s2)cc1
InChIInChI=1S/C22H24N4OS/c23-19-6-2-3-7-20(19)25-21(27)16-8-10-17(11-9-16)22-24-14-18(28-22)15-26-12-4-1-5-13-26/h2-3,6-11,14H,1,4-5,12-13,15,23H2,(H,25,27)
InChIKeyMNODIKQCUVLSDW-UHFFFAOYSA-N
MW392.53 g/mol
LogP4.63
Rot. Bonds5

About N-(2-aminophenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide

N-(2-aminophenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 25023854) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
PubChem CID25023854
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC NameN-(2-aminophenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(-c2ncc(CN3CCCCC3)s2)cc1
InChIInChI=1S/C22H24N4OS/c23-19-6-2-3-7-20(19)25-21(27)16-8-10-17(11-9-16)22-24-14-18(28-22)15-26-12-4-1-5-13-26/h2-3,6-11,14H,1,4-5,12-13,15,23H2,(H,25,27)
InChIKeyMNODIKQCUVLSDW-UHFFFAOYSA-N
XLogP4.63
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-aminophenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide 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-(2-aminophenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide (CID 25023854) is N-(2-aminophenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide is Nc1ccccc1NC(=O)c1ccc(-c2ncc(CN3CCCCC3)s2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is MNODIKQCUVLSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c23-19-6-2-3-7-20(19)25-21(27)16-8-10-17(11-9-16)22-24-14-18(28-22)15-26-12-4-1-5-13-26/h2-3,6-11,14H,1,4-5,12-13,15,23H2,(H,25,27).
What are the key properties of N-(2-aminophenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide?
N-(2-aminophenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 392.53 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 25023854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).