3-(4-methoxyindol-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide

C18H22N4O2S — CID 52899420

IUPAC3-(4-methoxyindol-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCOc1cccc2c1ccn2CCC(=O)Nc1nnc(CC(C)C)s1
InChIInChI=1S/C18H22N4O2S/c1-12(2)11-17-20-21-18(25-17)19-16(23)8-10-22-9-7-13-14(22)5-4-6-15(13)24-3/h4-7,9,12H,8,10-11H2,1-3H3,(H,19,21,23)
InChIKeyZPNNDCUIFCFWFM-UHFFFAOYSA-N
MW358.47 g/mol
LogP3.73
Rot. Bonds7

About 3-(4-methoxyindol-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide

3-(4-methoxyindol-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 52899420) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 3-(4-methoxyindol-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyindol-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID52899420
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name3-(4-methoxyindol-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCOc1cccc2c1ccn2CCC(=O)Nc1nnc(CC(C)C)s1
InChIInChI=1S/C18H22N4O2S/c1-12(2)11-17-20-21-18(25-17)19-16(23)8-10-22-9-7-13-14(22)5-4-6-15(13)24-3/h4-7,9,12H,8,10-11H2,1-3H3,(H,19,21,23)
InChIKeyZPNNDCUIFCFWFM-UHFFFAOYSA-N
XLogP3.73
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyindol-1-yl)propanamide
CID 52897952
2-(2-methoxyphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 3388491
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-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-naphthalen-1-ylbutanediamide
CID 1399795
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(2-propan-2-ylphenoxy)acetamide
CID 16548028
3-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 103601483
2-(6-chloro-4-oxoquinolin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 43833012
methyl 4-(4-methoxyindol-1-yl)butanoate
CID 83163082
4-(4-methoxyindol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 83162352
3-(4-methoxyindol-1-yl)-1-phenylpropan-1-one
CID 116691996
N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-(4-methoxyindol-1-yl)propanamide
CID 124846597

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyindol-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 3-(4-methoxyindol-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 52899420) is 3-(4-methoxyindol-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 3-(4-methoxyindol-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 3-(4-methoxyindol-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide is COc1cccc2c1ccn2CCC(=O)Nc1nnc(CC(C)C)s1.
What is the InChIKey of 3-(4-methoxyindol-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is ZPNNDCUIFCFWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-12(2)11-17-20-21-18(25-17)19-16(23)8-10-22-9-7-13-14(22)5-4-6-15(13)24-3/h4-7,9,12H,8,10-11H2,1-3H3,(H,19,21,23).
What are the key properties of 3-(4-methoxyindol-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide?
3-(4-methoxyindol-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 358.47 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyindol-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 52899420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).