2-[1-(2,4-difluorophenyl)ethylamino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide

C21H21F2N3O3S — CID 112800956

IUPAC2-[1-(2,4-difluorophenyl)ethylamino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CNC(C)c3ccc(F)cc3F)n2)c(OC)c1
InChIInChI=1S/C21H21F2N3O3S/c1-12(15-6-4-13(22)8-17(15)23)24-10-20(27)26-21-25-18(11-30-21)16-7-5-14(28-2)9-19(16)29-3/h4-9,11-12,24H,10H2,1-3H3,(H,25,26,27)
InChIKeyCIFVZFOLHYCYGL-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.39
Rot. Bonds8

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

2-[1-(2,4-difluorophenyl)ethylamino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 112800956) has the molecular formula C21H21F2N3O3S and a molecular weight of 433.48 g/mol. Its IUPAC name is 2-[1-(2,4-difluorophenyl)ethylamino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2,4-difluorophenyl)ethylamino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID112800956
Molecular FormulaC21H21F2N3O3S
Molecular Weight433.48 g/mol
Exact Mass433.13
IUPAC Name2-[1-(2,4-difluorophenyl)ethylamino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CNC(C)c3ccc(F)cc3F)n2)c(OC)c1
InChIInChI=1S/C21H21F2N3O3S/c1-12(15-6-4-13(22)8-17(15)23)24-10-20(27)26-21-25-18(11-30-21)16-7-5-14(28-2)9-19(16)29-3/h4-9,11-12,24H,10H2,1-3H3,(H,25,26,27)
InChIKeyCIFVZFOLHYCYGL-UHFFFAOYSA-N
XLogP4.39
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-(2,4-difluorophenyl)ethylamino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-difluorophenyl)ethylamino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[1-(2,4-difluorophenyl)ethylamino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 112800956) is 2-[1-(2,4-difluorophenyl)ethylamino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[1-(2,4-difluorophenyl)ethylamino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[1-(2,4-difluorophenyl)ethylamino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2csc(NC(=O)CNC(C)c3ccc(F)cc3F)n2)c(OC)c1.
What is the InChIKey of 2-[1-(2,4-difluorophenyl)ethylamino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is CIFVZFOLHYCYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O3S/c1-12(15-6-4-13(22)8-17(15)23)24-10-20(27)26-21-25-18(11-30-21)16-7-5-14(28-2)9-19(16)29-3/h4-9,11-12,24H,10H2,1-3H3,(H,25,26,27).
What are the key properties of 2-[1-(2,4-difluorophenyl)ethylamino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-[1-(2,4-difluorophenyl)ethylamino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 433.48 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-difluorophenyl)ethylamino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 112800956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).