N-(3,4-dimethoxyphenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide

C20H18F3N3O3S — CID 30859931

IUPACN-(3,4-dimethoxyphenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OC
InChIInChI=1S/C20H18F3N3O3S/c1-28-16-7-6-14(9-17(16)29-2)24-18(27)10-15-11-30-19(26-15)25-13-5-3-4-12(8-13)20(21,22)23/h3-9,11H,10H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyRZZFOGLNBMCANB-UHFFFAOYSA-N
MW437.44 g/mol
LogP5.10
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide

N-(3,4-dimethoxyphenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide (PubChem CID 30859931) has the molecular formula C20H18F3N3O3S and a molecular weight of 437.44 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
PubChem CID30859931
Molecular FormulaC20H18F3N3O3S
Molecular Weight437.44 g/mol
Exact Mass437.10
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OC
InChIInChI=1S/C20H18F3N3O3S/c1-28-16-7-6-14(9-17(16)29-2)24-18(27)10-15-11-30-19(26-15)25-13-5-3-4-12(8-13)20(21,22)23/h3-9,11H,10H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyRZZFOGLNBMCANB-UHFFFAOYSA-N
XLogP5.10
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.44
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3,4-dimethoxyphenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]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

N-(1,3-benzodioxol-5-yl)-4-phenyl-1,3-thiazol-2-amine
CID 684847
1-[4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea
CID 2307751
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 9551891
N-(3,4-dimethoxyphenyl)-2-(2-(3-(2-methoxyphenyl)ureido)thiazol-4-yl)acetamide
CID 18567666
3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-5-[2-(3,4-dimethoxy-phenylamino)-thiazol-4-yl]-6-methyl-1H-pyrimidine-2,4-dione
CID 44394768
N-[3-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-thiazol-4-yl)phenyl]acetamide
CID 2214138
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 3268467
N-(3,4-dimethoxyphenyl)-2-{2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl}acetamide
CID 16015506
2-{2-[(2,5-dimethoxyphenyl)amino]-1,3-thiazol-4-yl}-N-[(4-fluorophenyl)methyl]acetamide
CID 27377905
2-((4-(difluoromethoxy)phenyl)amino)-N-(3,4-dimethoxyphenyl)thiazole-4-carboxamide
CID 30860203
1-[4-[1-Amino-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)urea
CID 49786500
N-(1,3-benzodioxol-5-yl)-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 692699

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide (CID 30859931) is N-(3,4-dimethoxyphenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide is COc1ccc(NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is RZZFOGLNBMCANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3S/c1-28-16-7-6-14(9-17(16)29-2)24-18(27)10-15-11-30-19(26-15)25-13-5-3-4-12(8-13)20(21,22)23/h3-9,11H,10H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide?
N-(3,4-dimethoxyphenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 437.44 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 30859931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).