2-(4-methoxyphenoxy)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide

C21H20N4O3S — CID 20933068

IUPAC2-(4-methoxyphenoxy)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2nnc(Cc3cn(C)c4ccccc34)s2)cc1
InChIInChI=1S/C21H20N4O3S/c1-25-12-14(17-5-3-4-6-18(17)25)11-20-23-24-21(29-20)22-19(26)13-28-16-9-7-15(27-2)8-10-16/h3-10,12H,11,13H2,1-2H3,(H,22,24,26)
InChIKeyGOXKQFFXODMGAY-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.65
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide

2-(4-methoxyphenoxy)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 20933068) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID20933068
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC Name2-(4-methoxyphenoxy)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2nnc(Cc3cn(C)c4ccccc34)s2)cc1
InChIInChI=1S/C21H20N4O3S/c1-25-12-14(17-5-3-4-6-18(17)25)11-20-23-24-21(29-20)22-19(26)13-28-16-9-7-15(27-2)8-10-16/h3-10,12H,11,13H2,1-2H3,(H,22,24,26)
InChIKeyGOXKQFFXODMGAY-UHFFFAOYSA-N
XLogP3.65
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-methoxyphenyl)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 20933053
2-(4-chlorophenoxy)-N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 20933044
2-(4-methoxyphenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 1394635
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 733423
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 8696893
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenoxy)acetamide
CID 7729168
2-phenoxy-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 872730
N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide
CID 20933046
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 7920328
N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-[4-[2-[[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoethoxy]phenoxy]acetamide
CID 11734868
2-(4-methoxyphenyl)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17319688
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813938

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 20933068) is 2-(4-methoxyphenoxy)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide is COc1ccc(OCC(=O)Nc2nnc(Cc3cn(C)c4ccccc34)s2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is GOXKQFFXODMGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-25-12-14(17-5-3-4-6-18(17)25)11-20-23-24-21(29-20)22-19(26)13-28-16-9-7-15(27-2)8-10-16/h3-10,12H,11,13H2,1-2H3,(H,22,24,26).
What are the key properties of 2-(4-methoxyphenoxy)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
2-(4-methoxyphenoxy)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 408.48 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 20933068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).