(2,6-dimethoxyphenyl) 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate

C21H21NO4S — CID 2129174

IUPAC(2,6-dimethoxyphenyl) 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate
SMILESCOc1cccc(OC)c1OC(=O)Cc1sc(C)nc1-c1ccc(C)cc1
InChIInChI=1S/C21H21NO4S/c1-13-8-10-15(11-9-13)20-18(27-14(2)22-20)12-19(23)26-21-16(24-3)6-5-7-17(21)25-4/h5-11H,12H2,1-4H3
InChIKeyVGNOFKBSSVUTDV-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.59
Rot. Bonds6

About (2,6-dimethoxyphenyl) 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate

(2,6-dimethoxyphenyl) 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate (PubChem CID 2129174) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl) 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl) 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate
PubChem CID2129174
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC Name(2,6-dimethoxyphenyl) 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate
SMILESCOc1cccc(OC)c1OC(=O)Cc1sc(C)nc1-c1ccc(C)cc1
InChIInChI=1S/C21H21NO4S/c1-13-8-10-15(11-9-13)20-18(27-14(2)22-20)12-19(23)26-21-16(24-3)6-5-7-17(21)25-4/h5-11H,12H2,1-4H3
InChIKeyVGNOFKBSSVUTDV-UHFFFAOYSA-N
XLogP4.59
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluoro-2-methoxyphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 33283008
N-(5-chloro-2-methoxyphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26094727
2-[4-(2-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 39362994
N-benzyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 2461104
N-(2-ethoxyphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26736248
2-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 39376254
bis(2,6-dimethoxyphenyl) butanedioate
CID 91737376
N-[(3-chlorophenyl)methyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 2107721
N-(4-fluorophenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26915494
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 29435720
N-(3-ethylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26736483
2-[2-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetate
CID 7303255

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl) 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate?
The IUPAC name of (2,6-dimethoxyphenyl) 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate (CID 2129174) is (2,6-dimethoxyphenyl) 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for (2,6-dimethoxyphenyl) 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate?
The canonical SMILES for (2,6-dimethoxyphenyl) 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate is COc1cccc(OC)c1OC(=O)Cc1sc(C)nc1-c1ccc(C)cc1.
What is the InChIKey of (2,6-dimethoxyphenyl) 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate?
The InChIKey is VGNOFKBSSVUTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4S/c1-13-8-10-15(11-9-13)20-18(27-14(2)22-20)12-19(23)26-21-16(24-3)6-5-7-17(21)25-4/h5-11H,12H2,1-4H3.
What are the key properties of (2,6-dimethoxyphenyl) 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate?
(2,6-dimethoxyphenyl) 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate has a molecular weight of 383.47 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl) 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 2129174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).