2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide

C23H20ClN3O2S2 — CID 24533421

IUPAC2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide
SMILESCc1nc(-c2ccc(CNC(=O)Cc3csc(COc4ccc(Cl)cc4)n3)cc2)cs1
InChIInChI=1S/C23H20ClN3O2S2/c1-15-26-21(14-30-15)17-4-2-16(3-5-17)11-25-22(28)10-19-13-31-23(27-19)12-29-20-8-6-18(24)7-9-20/h2-9,13-14H,10-12H2,1H3,(H,25,28)
InChIKeyPFHXPERNRQODDJ-UHFFFAOYSA-N
MW470.02 g/mol
LogP5.67
Rot. Bonds8

About 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide

2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide (PubChem CID 24533421) has the molecular formula C23H20ClN3O2S2 and a molecular weight of 470.02 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide
PubChem CID24533421
Molecular FormulaC23H20ClN3O2S2
Molecular Weight470.02 g/mol
Exact Mass469.07
IUPAC Name2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide
SMILESCc1nc(-c2ccc(CNC(=O)Cc3csc(COc4ccc(Cl)cc4)n3)cc2)cs1
InChIInChI=1S/C23H20ClN3O2S2/c1-15-26-21(14-30-15)17-4-2-16(3-5-17)11-25-22(28)10-19-13-31-23(27-19)12-29-20-8-6-18(24)7-9-20/h2-9,13-14H,10-12H2,1H3,(H,25,28)
InChIKeyPFHXPERNRQODDJ-UHFFFAOYSA-N
XLogP5.67
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.02
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(3-chlorophenyl)methyl]acetamide
CID 24524667
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 33296953
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 27286822
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 34141754
N-benzyl-2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 24563087
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-propylphenyl)acetamide
CID 18231102
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55577890
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 18100503
4-(4-chlorophenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
CID 108749716
N-[2-(ethylamino)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 119507257
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 55978359
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N'-[2-(2,5-dimethylphenoxy)acetyl]acetohydrazide
CID 35819751

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide (CID 24533421) is 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide is Cc1nc(-c2ccc(CNC(=O)Cc3csc(COc4ccc(Cl)cc4)n3)cc2)cs1.
What is the InChIKey of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide?
The InChIKey is PFHXPERNRQODDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2S2/c1-15-26-21(14-30-15)17-4-2-16(3-5-17)11-25-22(28)10-19-13-31-23(27-19)12-29-20-8-6-18(24)7-9-20/h2-9,13-14H,10-12H2,1H3,(H,25,28).
What are the key properties of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide?
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide has a molecular weight of 470.02 g/mol, XLogP of 5.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 24533421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).