2-[2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

C23H20ClN3O3S2 — CID 20894871

IUPAC2-[2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)Cc3csc(COc4ccc(Cl)c(C)c4)n3)n2)cc1
InChIInChI=1S/C23H20ClN3O3S2/c1-14-9-18(7-8-19(14)24)30-11-22-25-16(12-31-22)10-21(28)27-23-26-20(13-32-23)15-3-5-17(29-2)6-4-15/h3-9,12-13H,10-11H2,1-2H3,(H,26,27,28)
InChIKeyRROCNLBWMFIXAI-UHFFFAOYSA-N
MW486.02 g/mol
LogP6.00
Rot. Bonds8

About 2-[2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

2-[2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 20894871) has the molecular formula C23H20ClN3O3S2 and a molecular weight of 486.02 g/mol. Its IUPAC name is 2-[2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID20894871
Molecular FormulaC23H20ClN3O3S2
Molecular Weight486.02 g/mol
Exact Mass485.06
IUPAC Name2-[2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)Cc3csc(COc4ccc(Cl)c(C)c4)n3)n2)cc1
InChIInChI=1S/C23H20ClN3O3S2/c1-14-9-18(7-8-19(14)24)30-11-22-25-16(12-31-22)10-21(28)27-23-26-20(13-32-23)15-3-5-17(29-2)6-4-15/h3-9,12-13H,10-11H2,1-2H3,(H,26,27,28)
InChIKeyRROCNLBWMFIXAI-UHFFFAOYSA-N
XLogP6.00
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.02
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7918628
4-(4-chloro-3-methylphenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]butanamide
CID 19191298
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 16572684
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 24524700
2-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 8748052
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 4782945
2-(4-chloro-3-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 16547898
2-(4-chloro-3-methylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7924827
2-(5-chloro-2-methoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 171133880
N-(6-chloro-1,3-benzothiazol-2-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 27872219
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 24505903
N-(6-chloropyrazin-2-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 47090661

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 20894871) is 2-[2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2csc(NC(=O)Cc3csc(COc4ccc(Cl)c(C)c4)n3)n2)cc1.
What is the InChIKey of 2-[2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is RROCNLBWMFIXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3S2/c1-14-9-18(7-8-19(14)24)30-11-22-25-16(12-31-22)10-21(28)27-23-26-20(13-32-23)15-3-5-17(29-2)6-4-15/h3-9,12-13H,10-11H2,1-2H3,(H,26,27,28).
What are the key properties of 2-[2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-[2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 486.02 g/mol, XLogP of 6.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chloro-3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 20894871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).