copper;2,2-difluoro-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid

C13H11CuF2NO3S — CID 159377510

IUPACcopper;2,2-difluoro-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid
SMILESCOc1ccc(-c2ncc(CC(F)(F)C(=O)O)s2)cc1.[Cu]
InChIInChI=1S/C13H11F2NO3S.Cu/c1-19-9-4-2-8(3-5-9)11-16-7-10(20-11)6-13(14,15)12(17)18;/h2-5,7H,6H2,1H3,(H,17,18);
InChIKeyLKMSTISWJWXNOX-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.08
Rot. Bonds5

About copper;2,2-difluoro-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid

copper;2,2-difluoro-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid (PubChem CID 159377510) has the molecular formula C13H11CuF2NO3S and a molecular weight of 362.84 g/mol. Its IUPAC name is copper;2,2-difluoro-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid.

Molecular Properties

Compound Namecopper;2,2-difluoro-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid
PubChem CID159377510
Molecular FormulaC13H11CuF2NO3S
Molecular Weight362.84 g/mol
Exact Mass361.97
IUPAC Namecopper;2,2-difluoro-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid
SMILESCOc1ccc(-c2ncc(CC(F)(F)C(=O)O)s2)cc1.[Cu]
InChIInChI=1S/C13H11F2NO3S.Cu/c1-19-9-4-2-8(3-5-9)11-16-7-10(20-11)6-13(14,15)12(17)18;/h2-5,7H,6H2,1H3,(H,17,18);
InChIKeyLKMSTISWJWXNOX-UHFFFAOYSA-N
XLogP3.08
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze copper;2,2-difluoro-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid 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

ethyl 2-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate
CID 25247878
2-[2-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 82369371
2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
CID 82424257
4-(5-ethyl-1,3-thiazol-2-yl)benzoic acid
CID 62651340
amino 2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 141145829
N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117084347
2-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
CID 119209553
1-[2-(6-methoxynaphthalen-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 61280182
methyl 4-[5-(aminomethyl)-1,3-thiazol-2-yl]benzoate
CID 126697356
2-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide
CID 86825779
6-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid
CID 119220256
5-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazin-3-amine
CID 29089008

Frequently Asked Questions

What is the IUPAC name of copper;2,2-difluoro-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid?
The IUPAC name of copper;2,2-difluoro-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid (CID 159377510) is copper;2,2-difluoro-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid.
What is the SMILES notation for copper;2,2-difluoro-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid?
The canonical SMILES for copper;2,2-difluoro-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid is COc1ccc(-c2ncc(CC(F)(F)C(=O)O)s2)cc1.[Cu].
What is the InChIKey of copper;2,2-difluoro-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid?
The InChIKey is LKMSTISWJWXNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO3S.Cu/c1-19-9-4-2-8(3-5-9)11-16-7-10(20-11)6-13(14,15)12(17)18;/h2-5,7H,6H2,1H3,(H,17,18);.
What are the key properties of copper;2,2-difluoro-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid?
copper;2,2-difluoro-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid has a molecular weight of 362.84 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2,2-difluoro-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid is sourced from PubChem (CID 159377510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).