N-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

C23H27N5OS — CID 90173853

IUPACN-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCc1cc(-c2ncc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)s2)cc(C)n1
InChIInChI=1S/C23H27N5OS/c1-16-12-20(13-17(2)25-16)23-24-14-21(30-23)26-22(29)19-6-4-18(5-7-19)15-28-10-8-27(3)9-11-28/h4-7,12-14H,8-11,15H2,1-3H3,(H,26,29)
InChIKeyRINRHSYZRVEIDQ-UHFFFAOYSA-N
MW421.57 g/mol
LogP3.82
Rot. Bonds5

About N-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

N-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide (PubChem CID 90173853) has the molecular formula C23H27N5OS and a molecular weight of 421.57 g/mol. Its IUPAC name is N-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
PubChem CID90173853
Molecular FormulaC23H27N5OS
Molecular Weight421.57 g/mol
Exact Mass421.19
IUPAC NameN-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCc1cc(-c2ncc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)s2)cc(C)n1
InChIInChI=1S/C23H27N5OS/c1-16-12-20(13-17(2)25-16)23-24-14-21(30-23)26-22(29)19-6-4-18(5-7-19)15-28-10-8-27(3)9-11-28/h4-7,12-14H,8-11,15H2,1-3H3,(H,26,29)
InChIKeyRINRHSYZRVEIDQ-UHFFFAOYSA-N
XLogP3.82
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(morpholin-4-ylmethyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide
CID 90174299
5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 71060935
4-(4-methylpiperazine-1-carbonyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide
CID 90172696
N-(2-hydroxy-5-phenylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 59627322
N-(3-formyl-4-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 87562064
N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 84614037
4-chloro-N-[4-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]phenyl]benzamide
CID 44524261
N-[3-[[4-(4-cyanophenyl)-1,3-thiazol-2-yl]methyl]-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 58398594
N-[4-methyl-3-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 148634227
4-fluoro-N-[3-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]phenyl]benzamide
CID 44524357
N-[4-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 58398651
4-[[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 77108359

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide (CID 90173853) is N-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide is Cc1cc(-c2ncc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)s2)cc(C)n1.
What is the InChIKey of N-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The InChIKey is RINRHSYZRVEIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5OS/c1-16-12-20(13-17(2)25-16)23-24-14-21(30-23)26-22(29)19-6-4-18(5-7-19)15-28-10-8-27(3)9-11-28/h4-7,12-14H,8-11,15H2,1-3H3,(H,26,29).
What are the key properties of N-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
N-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide has a molecular weight of 421.57 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 90173853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).