N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide

C16H19Cl2N3OS — CID 55827368

IUPACN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide
SMILESCc1ncc(CN(C)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C16H19Cl2N3OS/c1-11-19-7-13(23-11)9-20(2)10-16(22)21(3)8-12-4-5-14(17)15(18)6-12/h4-7H,8-10H2,1-3H3
InChIKeyVGWHVNHSIAFKKO-UHFFFAOYSA-N
MW372.32 g/mol
LogP3.85
Rot. Bonds6

About N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide

N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide (PubChem CID 55827368) has the molecular formula C16H19Cl2N3OS and a molecular weight of 372.32 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide
PubChem CID55827368
Molecular FormulaC16H19Cl2N3OS
Molecular Weight372.32 g/mol
Exact Mass371.06
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide
SMILESCc1ncc(CN(C)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C16H19Cl2N3OS/c1-11-19-7-13(23-11)9-20(2)10-16(22)21(3)8-12-4-5-14(17)15(18)6-12/h4-7H,8-10H2,1-3H3
InChIKeyVGWHVNHSIAFKKO-UHFFFAOYSA-N
XLogP3.85
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide with MolForge

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Related Compounds

2-(4-aminophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide;dihydrochloride
CID 119859279
2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8553110
3-chloro-2-[[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]benzoic acid
CID 136550259
ethyl 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoate
CID 61372216
4-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-nitrobenzamide
CID 60794318
N-(4-hydroxyphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide
CID 51087238
methyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate
CID 60670410
N'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide
CID 115192019
5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 103601901
N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 112792374
2-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 78771137
methyl 4-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]butanoate
CID 62045674

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide (CID 55827368) is N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide is Cc1ncc(CN(C)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide?
The InChIKey is VGWHVNHSIAFKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3OS/c1-11-19-7-13(23-11)9-20(2)10-16(22)21(3)8-12-4-5-14(17)15(18)6-12/h4-7H,8-10H2,1-3H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide?
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide has a molecular weight of 372.32 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide is sourced from PubChem (CID 55827368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).