2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide

C21H19ClN2O4S — CID 56579626

IUPAC2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide
SMILESO=C(Cc1csc(COc2ccc(Cl)cc2)n1)NCc1cccc2c1OCCO2
InChIInChI=1S/C21H19ClN2O4S/c22-15-4-6-17(7-5-15)28-12-20-24-16(13-29-20)10-19(25)23-11-14-2-1-3-18-21(14)27-9-8-26-18/h1-7,13H,8-12H2,(H,23,25)
InChIKeyYPLDGLJZLVBBBX-UHFFFAOYSA-N
MW430.91 g/mol
LogP4.01
Rot. Bonds7

About 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide

2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide (PubChem CID 56579626) has the molecular formula C21H19ClN2O4S and a molecular weight of 430.91 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide
PubChem CID56579626
Molecular FormulaC21H19ClN2O4S
Molecular Weight430.91 g/mol
Exact Mass430.08
IUPAC Name2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide
SMILESO=C(Cc1csc(COc2ccc(Cl)cc2)n1)NCc1cccc2c1OCCO2
InChIInChI=1S/C21H19ClN2O4S/c22-15-4-6-17(7-5-15)28-12-20-24-16(13-29-20)10-19(25)23-11-14-2-1-3-18-21(14)27-9-8-26-18/h1-7,13H,8-12H2,(H,23,25)
InChIKeyYPLDGLJZLVBBBX-UHFFFAOYSA-N
XLogP4.01
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 54.01
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-[(2-fluorophenyl)methyl]acetamide
CID 27286822
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-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55577890
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 34141754
N'-[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]pyridine-2-carbohydrazide
CID 35076867
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 56560605
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-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]acetamide
CID 55603959
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide
CID 24533421
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
CID 46649581
N-benzyl-2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 24563087

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide?
The IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide (CID 56579626) is 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide?
The canonical SMILES for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide is O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NCc1cccc2c1OCCO2.
What is the InChIKey of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide?
The InChIKey is YPLDGLJZLVBBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4S/c22-15-4-6-17(7-5-15)28-12-20-24-16(13-29-20)10-19(25)23-11-14-2-1-3-18-21(14)27-9-8-26-18/h1-7,13H,8-12H2,(H,23,25).
What are the key properties of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide?
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide has a molecular weight of 430.91 g/mol, XLogP of 4.01, 7 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-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide is sourced from PubChem (CID 56579626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).