N-benzyl-2-(2-chloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide

C21H23ClN4OS — CID 5222692

IUPACN-benzyl-2-(2-chloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)c1csc(Nc2ccccc2Cl)n1
InChIInChI=1S/C21H23ClN4OS/c1-25(2)12-13-26(14-16-8-4-3-5-9-16)20(27)19-15-28-21(24-19)23-18-11-7-6-10-17(18)22/h3-11,15H,12-14H2,1-2H3,(H,23,24)
InChIKeyFERQENMYTSWOSZ-UHFFFAOYSA-N
MW414.96 g/mol
LogP4.74
Rot. Bonds8

About N-benzyl-2-(2-chloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide

N-benzyl-2-(2-chloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 5222692) has the molecular formula C21H23ClN4OS and a molecular weight of 414.96 g/mol. Its IUPAC name is N-benzyl-2-(2-chloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(2-chloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID5222692
Molecular FormulaC21H23ClN4OS
Molecular Weight414.96 g/mol
Exact Mass414.13
IUPAC NameN-benzyl-2-(2-chloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)c1csc(Nc2ccccc2Cl)n1
InChIInChI=1S/C21H23ClN4OS/c1-25(2)12-13-26(14-16-8-4-3-5-9-16)20(27)19-15-28-21(24-19)23-18-11-7-6-10-17(18)22/h3-11,15H,12-14H2,1-2H3,(H,23,24)
InChIKeyFERQENMYTSWOSZ-UHFFFAOYSA-N
XLogP4.74
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.96
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2-(2-chloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide 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

N-benzyl-2-(2-chloroanilino)-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 46136575
2-(2-chloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 42813666
2-(2-chloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 42813506
2-anilino-N-benzyl-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 46136477
N-benzyl-2-(2,3-dichloroanilino)-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 42814301
N-benzyl-N-[2-(dimethylamino)ethyl]-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 46172645
N-benzyl-2-[4-[2-(2-chloroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 42875366
N-benzyl-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 42813196
2-(2-chloroanilino)-N-cyclopropyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide
CID 42813493
N-benzyl-2-(5-chloro-2-methylanilino)-N-(3-morpholin-4-yl-3-oxopropyl)-1,3-thiazole-4-carboxamide
CID 46137258
N-benzyl-2-(2-chloroanilino)-N-ethyl-6-methylpyrimidine-4-carboxamide
CID 109329583
N-benzyl-2-(2,5-dichloroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 42813545

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-chloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2-(2-chloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide (CID 5222692) is N-benzyl-2-(2-chloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(2-chloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-(2-chloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide is CN(C)CCN(Cc1ccccc1)C(=O)c1csc(Nc2ccccc2Cl)n1.
What is the InChIKey of N-benzyl-2-(2-chloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is FERQENMYTSWOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4OS/c1-25(2)12-13-26(14-16-8-4-3-5-9-16)20(27)19-15-28-21(24-19)23-18-11-7-6-10-17(18)22/h3-11,15H,12-14H2,1-2H3,(H,23,24).
What are the key properties of N-benzyl-2-(2-chloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide?
N-benzyl-2-(2-chloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 414.96 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-chloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 5222692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).