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

C21H20N4O2S — CID 20933053

IUPAC2-(3-methoxyphenyl)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1cccc(CC(=O)Nc2nnc(Cc3cn(C)c4ccccc34)s2)c1
InChIInChI=1S/C21H20N4O2S/c1-25-13-15(17-8-3-4-9-18(17)25)12-20-23-24-21(28-20)22-19(26)11-14-6-5-7-16(10-14)27-2/h3-10,13H,11-12H2,1-2H3,(H,22,24,26)
InChIKeyGUNVPXWHCNSOFK-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.81
Rot. Bonds6

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

2-(3-methoxyphenyl)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 20933053) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID20933053
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name2-(3-methoxyphenyl)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1cccc(CC(=O)Nc2nnc(Cc3cn(C)c4ccccc34)s2)c1
InChIInChI=1S/C21H20N4O2S/c1-25-13-15(17-8-3-4-9-18(17)25)12-20-23-24-21(28-20)22-19(26)11-14-6-5-7-16(10-14)27-2/h3-10,13H,11-12H2,1-2H3,(H,22,24,26)
InChIKeyGUNVPXWHCNSOFK-UHFFFAOYSA-N
XLogP3.81
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenoxy)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 20933068
2-(3-methoxyphenyl)-1-(1-methylindol-3-yl)ethanone
CID 43340241
N-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 46980724
5-[(3-methoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 13272863
2-(3,4-dimethoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 17320259
3-(3-methoxyphenyl)-N-[5-[4-[5-[3-(3-methoxyphenyl)propanoylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 90165530
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 7729161
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyindol-1-yl)propanamide
CID 52897952
N-[3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide
CID 17226238
N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide
CID 20933046
2-(4-chlorophenoxy)-N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 20933044

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 20933053) is 2-(3-methoxyphenyl)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide is COc1cccc(CC(=O)Nc2nnc(Cc3cn(C)c4ccccc34)s2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is GUNVPXWHCNSOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-25-13-15(17-8-3-4-9-18(17)25)12-20-23-24-21(28-20)22-19(26)11-14-6-5-7-16(10-14)27-2/h3-10,13H,11-12H2,1-2H3,(H,22,24,26).
What are the key properties of 2-(3-methoxyphenyl)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
2-(3-methoxyphenyl)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 392.48 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 20933053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).