N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyindol-1-yl)propanamide

C21H20N4O2S — CID 52897952

IUPACN-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyindol-1-yl)propanamide
SMILESCOc1cccc2c1ccn2CCC(=O)Nc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C21H20N4O2S/c1-27-18-9-5-8-17-16(18)10-12-25(17)13-11-19(26)22-21-24-23-20(28-21)14-15-6-3-2-4-7-15/h2-10,12H,11,13-14H2,1H3,(H,22,24,26)
InChIKeyNQEGQMKTAAQYAZ-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.12
Rot. Bonds7

About N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyindol-1-yl)propanamide

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyindol-1-yl)propanamide (PubChem CID 52897952) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyindol-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyindol-1-yl)propanamide
PubChem CID52897952
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyindol-1-yl)propanamide
SMILESCOc1cccc2c1ccn2CCC(=O)Nc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C21H20N4O2S/c1-27-18-9-5-8-17-16(18)10-12-25(17)13-11-19(26)22-21-24-23-20(28-21)14-15-6-3-2-4-7-15/h2-10,12H,11,13-14H2,1H3,(H,22,24,26)
InChIKeyNQEGQMKTAAQYAZ-UHFFFAOYSA-N
XLogP4.12
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxyindol-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 52899420
ethyl 2-[3-(4-methoxyindol-1-yl)propanoylamino]-1,3-thiazole-4-carboxylate
CID 71706389
methyl 3-(4-methoxyindol-1-yl)propanoate
CID 83162468
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495
3-(4-methoxyindol-1-yl)-1-phenylpropan-1-one
CID 116691996
N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide
CID 794578
2-(3-methoxyphenyl)-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 20933053
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(2,6-dimethylphenoxy)acetamide
CID 7943874
4-amino-N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide
CID 39182812
4-(4-methoxyindol-1-yl)butanoic acid
CID 83162861
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-ethylphenyl)propanamide
CID 18272399
N-[3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide
CID 17226238

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyindol-1-yl)propanamide?
The IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyindol-1-yl)propanamide (CID 52897952) is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyindol-1-yl)propanamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyindol-1-yl)propanamide?
The canonical SMILES for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyindol-1-yl)propanamide is COc1cccc2c1ccn2CCC(=O)Nc1nnc(Cc2ccccc2)s1.
What is the InChIKey of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyindol-1-yl)propanamide?
The InChIKey is NQEGQMKTAAQYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-27-18-9-5-8-17-16(18)10-12-25(17)13-11-19(26)22-21-24-23-20(28-21)14-15-6-3-2-4-7-15/h2-10,12H,11,13-14H2,1H3,(H,22,24,26).
What are the key properties of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyindol-1-yl)propanamide?
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyindol-1-yl)propanamide has a molecular weight of 392.48 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyindol-1-yl)propanamide is sourced from PubChem (CID 52897952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).