3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]-N-cyclohexylpropanamide

C21H30N4O2S — CID 5158760

IUPAC3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]-N-cyclohexylpropanamide
SMILESCOCCN(CCC(=O)NC1CCCCC1)c1nc(Cc2ccccc2)ns1
InChIInChI=1S/C21H30N4O2S/c1-27-15-14-25(13-12-20(26)22-18-10-6-3-7-11-18)21-23-19(24-28-21)16-17-8-4-2-5-9-17/h2,4-5,8-9,18H,3,6-7,10-16H2,1H3,(H,22,26)
InChIKeyGZGCCXXRSZNONE-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.42
Rot. Bonds10

About 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]-N-cyclohexylpropanamide

3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]-N-cyclohexylpropanamide (PubChem CID 5158760) has the molecular formula C21H30N4O2S and a molecular weight of 402.56 g/mol. Its IUPAC name is 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]-N-cyclohexylpropanamide
PubChem CID5158760
Molecular FormulaC21H30N4O2S
Molecular Weight402.56 g/mol
Exact Mass402.21
IUPAC Name3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]-N-cyclohexylpropanamide
SMILESCOCCN(CCC(=O)NC1CCCCC1)c1nc(Cc2ccccc2)ns1
InChIInChI=1S/C21H30N4O2S/c1-27-15-14-25(13-12-20(26)22-18-10-6-3-7-11-18)21-23-19(24-28-21)16-17-8-4-2-5-9-17/h2,4-5,8-9,18H,3,6-7,10-16H2,1H3,(H,22,26)
InChIKeyGZGCCXXRSZNONE-UHFFFAOYSA-N
XLogP3.42
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]-N-propan-2-ylpropanamide
CID 3447254
3-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-cyclopropylpropanamide
CID 5022129
3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]-N-hexylpropanamide
CID 4578691
3-[2-methoxyethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(pyridin-2-ylmethyl)propanamide
CID 3300151
N-(3,3-diphenylpropyl)-3-[2-methoxyethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 3993756
3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(2-methoxyethyl)amino]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 3640184
2-[benzyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-cyclopropylacetamide
CID 3511980
3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(furan-2-ylmethyl)amino]-N-propan-2-ylpropanamide
CID 3956050
3-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(3,3-diphenylpropyl)propanamide
CID 4002652
ethyl 1-[3-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]propanoyl]piperidine-3-carboxylate
CID 3323399
3-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(1,2-diphenylethyl)propanamide
CID 4985492
N-(3-methoxypropyl)-3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-(2-methylpropyl)amino]propanamide
CID 5029391

Frequently Asked Questions

What is the IUPAC name of 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]-N-cyclohexylpropanamide?
The IUPAC name of 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]-N-cyclohexylpropanamide (CID 5158760) is 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]-N-cyclohexylpropanamide.
What is the SMILES notation for 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]-N-cyclohexylpropanamide?
The canonical SMILES for 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]-N-cyclohexylpropanamide is COCCN(CCC(=O)NC1CCCCC1)c1nc(Cc2ccccc2)ns1.
What is the InChIKey of 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]-N-cyclohexylpropanamide?
The InChIKey is GZGCCXXRSZNONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2S/c1-27-15-14-25(13-12-20(26)22-18-10-6-3-7-11-18)21-23-19(24-28-21)16-17-8-4-2-5-9-17/h2,4-5,8-9,18H,3,6-7,10-16H2,1H3,(H,22,26).
What are the key properties of 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]-N-cyclohexylpropanamide?
3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]-N-cyclohexylpropanamide has a molecular weight of 402.56 g/mol, XLogP of 3.42, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]-N-cyclohexylpropanamide is sourced from PubChem (CID 5158760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).