2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-fluorophenyl)acetamide

C19H17ClFN3OS — CID 9252968

IUPAC2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)Cc1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H17ClFN3OS/c1-24(11-18(25)22-16-8-6-15(21)7-9-16)10-17-12-26-19(23-17)13-2-4-14(20)5-3-13/h2-9,12H,10-11H2,1H3,(H,22,25)
InChIKeyWJFLYUBCTGCIIQ-UHFFFAOYSA-N
MW389.88 g/mol
LogP4.67
Rot. Bonds6

About 2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-fluorophenyl)acetamide

2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 9252968) has the molecular formula C19H17ClFN3OS and a molecular weight of 389.88 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-fluorophenyl)acetamide
PubChem CID9252968
Molecular FormulaC19H17ClFN3OS
Molecular Weight389.88 g/mol
Exact Mass389.08
IUPAC Name2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)Cc1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H17ClFN3OS/c1-24(11-18(25)22-16-8-6-15(21)7-9-16)10-17-12-26-19(23-17)13-2-4-14(20)5-3-13/h2-9,12H,10-11H2,1H3,(H,22,25)
InChIKeyWJFLYUBCTGCIIQ-UHFFFAOYSA-N
XLogP4.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-fluorophenyl)acetamide 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

2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-methylacetamide
CID 78826678
2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8785558
2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclopropylacetamide
CID 9053665
N-(2,6-dichlorophenyl)-2-[methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 9287323
[2-(4-chloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824329
N-(4-chlorophenyl)-2-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetamide
CID 8815901
N-tert-butyl-2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetamide
CID 8767147
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 9250444
2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9251256
N-[(4-chlorophenyl)methyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9253245
N-(4-chlorophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]acetamide
CID 9040102
N-(4-chlorophenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330056

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-fluorophenyl)acetamide (CID 9252968) is 2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-fluorophenyl)acetamide is CN(CC(=O)Nc1ccc(F)cc1)Cc1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is WJFLYUBCTGCIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3OS/c1-24(11-18(25)22-16-8-6-15(21)7-9-16)10-17-12-26-19(23-17)13-2-4-14(20)5-3-13/h2-9,12H,10-11H2,1H3,(H,22,25).
What are the key properties of 2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-fluorophenyl)acetamide?
2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 389.88 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 9252968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).