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

C21H21ClN2O4S — CID 35852342

IUPAC2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)Cc2csc(-c3ccccc3Cl)n2)cc(OC)c1OC
InChIInChI=1S/C21H21ClN2O4S/c1-26-17-8-13(9-18(27-2)20(17)28-3)11-23-19(25)10-14-12-29-21(24-14)15-6-4-5-7-16(15)22/h4-9,12H,10-11H2,1-3H3,(H,23,25)
InChIKeyQCTXNWBNFUTFFK-UHFFFAOYSA-N
MW432.93 g/mol
LogP4.35
Rot. Bonds8

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

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 35852342) has the molecular formula C21H21ClN2O4S and a molecular weight of 432.93 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID35852342
Molecular FormulaC21H21ClN2O4S
Molecular Weight432.93 g/mol
Exact Mass432.09
IUPAC Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)Cc2csc(-c3ccccc3Cl)n2)cc(OC)c1OC
InChIInChI=1S/C21H21ClN2O4S/c1-26-17-8-13(9-18(27-2)20(17)28-3)11-23-19(25)10-14-12-29-21(24-14)15-6-4-5-7-16(15)22/h4-9,12H,10-11H2,1-3H3,(H,23,25)
InChIKeyQCTXNWBNFUTFFK-UHFFFAOYSA-N
XLogP4.35
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.93
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 78867437
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 25343258
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide
CID 51279381
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 36675806
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide
CID 55450396
N-benzyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 8713252
N-(2-amino-2-methylpropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119627873
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[1-(2-methoxyphenyl)propyl]acetamide
CID 46432452
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 43043523
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 36607706
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 86825809
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 99171388

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 35852342) is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(CNC(=O)Cc2csc(-c3ccccc3Cl)n2)cc(OC)c1OC.
What is the InChIKey of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is QCTXNWBNFUTFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O4S/c1-26-17-8-13(9-18(27-2)20(17)28-3)11-23-19(25)10-14-12-29-21(24-14)15-6-4-5-7-16(15)22/h4-9,12H,10-11H2,1-3H3,(H,23,25).
What are the key properties of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 432.93 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 35852342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).