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

C22H23FN4O2S — CID 46172645

IUPACN-benzyl-N-[2-(dimethylamino)ethyl]-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)c1csc(NC(=O)c2ccccc2F)n1
InChIInChI=1S/C22H23FN4O2S/c1-26(2)12-13-27(14-16-8-4-3-5-9-16)21(29)19-15-30-22(24-19)25-20(28)17-10-6-7-11-18(17)23/h3-11,15H,12-14H2,1-2H3,(H,24,25,28)
InChIKeyVHGOJLHESCJXGD-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.74
Rot. Bonds8

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

N-benzyl-N-[2-(dimethylamino)ethyl]-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 46172645) has the molecular formula C22H23FN4O2S and a molecular weight of 426.52 g/mol. Its IUPAC name is N-benzyl-N-[2-(dimethylamino)ethyl]-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(dimethylamino)ethyl]-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID46172645
Molecular FormulaC22H23FN4O2S
Molecular Weight426.52 g/mol
Exact Mass426.15
IUPAC NameN-benzyl-N-[2-(dimethylamino)ethyl]-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)c1csc(NC(=O)c2ccccc2F)n1
InChIInChI=1S/C22H23FN4O2S/c1-26(2)12-13-27(14-16-8-4-3-5-9-16)21(29)19-15-30-22(24-19)25-20(28)17-10-6-7-11-18(17)23/h3-11,15H,12-14H2,1-2H3,(H,24,25,28)
InChIKeyVHGOJLHESCJXGD-UHFFFAOYSA-N
XLogP3.74
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-N-[2-(dimethylamino)ethyl]-2-[(2-fluorobenzoyl)amino]-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,N-diethyl-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 46114215
2-[(2-fluorobenzoyl)amino]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46114246
N-benzyl-2-(2-chloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 5222692
N-benzyl-N-ethyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84556290
2-anilino-N-benzyl-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 46136477
N-[2-(dimethylamino)ethyl]-2-[(2-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 19611237
2-[(2-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 16916583
2-[(2,6-difluorobenzoyl)amino]-N,N-dimethyl-1,3-thiazole-4-carboxamide
CID 46114302
2-fluoro-N-[4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 46114227
2-fluoro-N-[4-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 46114250
N-benzyl-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 42813196
N-benzyl-N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)propanamide
CID 78811483

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide (CID 46172645) is N-benzyl-N-[2-(dimethylamino)ethyl]-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-(dimethylamino)ethyl]-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-[2-(dimethylamino)ethyl]-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide is CN(C)CCN(Cc1ccccc1)C(=O)c1csc(NC(=O)c2ccccc2F)n1.
What is the InChIKey of N-benzyl-N-[2-(dimethylamino)ethyl]-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is VHGOJLHESCJXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2S/c1-26(2)12-13-27(14-16-8-4-3-5-9-16)21(29)19-15-30-22(24-19)25-20(28)17-10-6-7-11-18(17)23/h3-11,15H,12-14H2,1-2H3,(H,24,25,28).
What are the key properties of N-benzyl-N-[2-(dimethylamino)ethyl]-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide?
N-benzyl-N-[2-(dimethylamino)ethyl]-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(dimethylamino)ethyl]-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46172645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).