2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide

C21H18Cl2F2N4O2S — CID 55432086

IUPAC2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N(C)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C21H18Cl2F2N4O2S/c1-11(29(2)9-18(30)27-19-13(22)4-3-5-14(19)23)20(31)28-21-26-17(10-32-21)12-6-7-15(24)16(25)8-12/h3-8,10-11H,9H2,1-2H3,(H,27,30)(H,26,28,31)
InChIKeyCMCAIHDGRKTAIX-UHFFFAOYSA-N
MW499.37 g/mol
LogP5.29
Rot. Bonds7

About 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide

2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 55432086) has the molecular formula C21H18Cl2F2N4O2S and a molecular weight of 499.37 g/mol. Its IUPAC name is 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID55432086
Molecular FormulaC21H18Cl2F2N4O2S
Molecular Weight499.37 g/mol
Exact Mass498.05
IUPAC Name2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N(C)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C21H18Cl2F2N4O2S/c1-11(29(2)9-18(30)27-19-13(22)4-3-5-14(19)23)20(31)28-21-26-17(10-32-21)12-6-7-15(24)16(25)8-12/h3-8,10-11H,9H2,1-2H3,(H,27,30)(H,26,28,31)
InChIKeyCMCAIHDGRKTAIX-UHFFFAOYSA-N
XLogP5.29
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.37
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide 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-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 2481850
(2R)-2-(carbamoylamino)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 8801390
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 16565427
(2R)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]propanamide
CID 9204302
[(2S)-1-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] propanoate
CID 7851224
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 16910410
[(2S)-1-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7890199
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 26307182
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 30736458
[(2S)-1-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 2-methoxyacetate
CID 7775931
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[methyl(propan-2-yl)amino]acetamide
CID 55437142
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 26372211

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide (CID 55432086) is 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide is CC(C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N(C)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is CMCAIHDGRKTAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2F2N4O2S/c1-11(29(2)9-18(30)27-19-13(22)4-3-5-14(19)23)20(31)28-21-26-17(10-32-21)12-6-7-15(24)16(25)8-12/h3-8,10-11H,9H2,1-2H3,(H,27,30)(H,26,28,31).
What are the key properties of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide?
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 499.37 g/mol, XLogP of 5.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 55432086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).