3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propylpropanamide

C21H26N4O3S — CID 4018276

IUPAC3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCN(Cc1ccco1)c1nc(Cc2cccc(OC)c2)ns1
InChIInChI=1S/C21H26N4O3S/c1-3-10-22-20(26)9-11-25(15-18-8-5-12-28-18)21-23-19(24-29-21)14-16-6-4-7-17(13-16)27-2/h4-8,12-13H,3,9-11,14-15H2,1-2H3,(H,22,26)
InChIKeyJRYKJHOJTXMCQT-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.65
Rot. Bonds11

About 3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propylpropanamide

3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propylpropanamide (PubChem CID 4018276) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is 3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propylpropanamide
PubChem CID4018276
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC Name3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCN(Cc1ccco1)c1nc(Cc2cccc(OC)c2)ns1
InChIInChI=1S/C21H26N4O3S/c1-3-10-22-20(26)9-11-25(15-18-8-5-12-28-18)21-23-19(24-29-21)14-16-6-4-7-17(13-16)27-2/h4-8,12-13H,3,9-11,14-15H2,1-2H3,(H,22,26)
InChIKeyJRYKJHOJTXMCQT-UHFFFAOYSA-N
XLogP3.65
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 42778208
N-(furan-2-ylmethyl)-3-[2-methoxyethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 3901093
N-benzyl-3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(2-phenylethyl)propanamide
CID 3906315
3-[butyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(2-phenylethyl)propanamide
CID 4209267
3-[butyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
CID 4559857
N-(3,3-diphenylpropyl)-3-[2-methoxyethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 3993756
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-methoxyethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 4313059
3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(furan-2-ylmethyl)amino]-N-propan-2-ylpropanamide
CID 3956050
N-(3,3-diphenylpropyl)-3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]propanamide
CID 3993422
2-[benzyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propan-2-ylacetamide
CID 3622092
N-[(2S)-butan-2-yl]-3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(furan-2-ylmethyl)amino]propanamide
CID 7271118
3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]-N-hexylpropanamide
CID 4578691

Frequently Asked Questions

What is the IUPAC name of 3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propylpropanamide?
The IUPAC name of 3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propylpropanamide (CID 4018276) is 3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propylpropanamide.
What is the SMILES notation for 3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propylpropanamide?
The canonical SMILES for 3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propylpropanamide is CCCNC(=O)CCN(Cc1ccco1)c1nc(Cc2cccc(OC)c2)ns1.
What is the InChIKey of 3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propylpropanamide?
The InChIKey is JRYKJHOJTXMCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-3-10-22-20(26)9-11-25(15-18-8-5-12-28-18)21-23-19(24-29-21)14-16-6-4-7-17(13-16)27-2/h4-8,12-13H,3,9-11,14-15H2,1-2H3,(H,22,26).
What are the key properties of 3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propylpropanamide?
3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propylpropanamide has a molecular weight of 414.53 g/mol, XLogP of 3.65, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propylpropanamide is sourced from PubChem (CID 4018276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).