N-(1-benzylpiperidin-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide

C27H33N5OS — CID 117092838

IUPACN-(1-benzylpiperidin-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCN1CCN(c2ccc(-c3ncc(C(=O)NC4CCN(Cc5ccccc5)CC4)s3)cc2)CC1
InChIInChI=1S/C27H33N5OS/c1-30-15-17-32(18-16-30)24-9-7-22(8-10-24)27-28-19-25(34-27)26(33)29-23-11-13-31(14-12-23)20-21-5-3-2-4-6-21/h2-10,19,23H,11-18,20H2,1H3,(H,29,33)
InChIKeyNLUXGIKDFJAWRU-UHFFFAOYSA-N
MW475.66 g/mol
LogP3.96
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide

N-(1-benzylpiperidin-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 117092838) has the molecular formula C27H33N5OS and a molecular weight of 475.66 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID117092838
Molecular FormulaC27H33N5OS
Molecular Weight475.66 g/mol
Exact Mass475.24
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCN1CCN(c2ccc(-c3ncc(C(=O)NC4CCN(Cc5ccccc5)CC4)s3)cc2)CC1
InChIInChI=1S/C27H33N5OS/c1-30-15-17-32(18-16-30)24-9-7-22(8-10-24)27-28-19-25(34-27)26(33)29-23-11-13-31(14-12-23)20-21-5-3-2-4-6-21/h2-10,19,23H,11-18,20H2,1H3,(H,29,33)
InChIKeyNLUXGIKDFJAWRU-UHFFFAOYSA-N
XLogP3.96
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.66
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Analyze N-(1-benzylpiperidin-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide 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-benzylpiperidin-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide (CID 117092838) is N-(1-benzylpiperidin-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide is CN1CCN(c2ccc(-c3ncc(C(=O)NC4CCN(Cc5ccccc5)CC4)s3)cc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is NLUXGIKDFJAWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5OS/c1-30-15-17-32(18-16-30)24-9-7-22(8-10-24)27-28-19-25(34-27)26(33)29-23-11-13-31(14-12-23)20-21-5-3-2-4-6-21/h2-10,19,23H,11-18,20H2,1H3,(H,29,33).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide?
N-(1-benzylpiperidin-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 475.66 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117092838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).