5-[(3,5-dimethylphenoxy)methyl]-N-[3-[furan-2-ylmethyl(methyl)carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide

C25H24N4O4S — CID 46332361

IUPAC5-[(3,5-dimethylphenoxy)methyl]-N-[3-[furan-2-ylmethyl(methyl)carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1cc(C)cc(OCc2nnc(C(=O)Nc3cccc(C(=O)N(C)Cc4ccco4)c3)s2)c1
InChIInChI=1S/C25H24N4O4S/c1-16-10-17(2)12-21(11-16)33-15-22-27-28-24(34-22)23(30)26-19-7-4-6-18(13-19)25(31)29(3)14-20-8-5-9-32-20/h4-13H,14-15H2,1-3H3,(H,26,30)
InChIKeyVKZALYYDVIYCOB-UHFFFAOYSA-N
MW476.56 g/mol
LogP4.85
Rot. Bonds8

About 5-[(3,5-dimethylphenoxy)methyl]-N-[3-[furan-2-ylmethyl(methyl)carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide

5-[(3,5-dimethylphenoxy)methyl]-N-[3-[furan-2-ylmethyl(methyl)carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46332361) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is 5-[(3,5-dimethylphenoxy)methyl]-N-[3-[furan-2-ylmethyl(methyl)carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylphenoxy)methyl]-N-[3-[furan-2-ylmethyl(methyl)carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID46332361
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC Name5-[(3,5-dimethylphenoxy)methyl]-N-[3-[furan-2-ylmethyl(methyl)carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1cc(C)cc(OCc2nnc(C(=O)Nc3cccc(C(=O)N(C)Cc4ccco4)c3)s2)c1
InChIInChI=1S/C25H24N4O4S/c1-16-10-17(2)12-21(11-16)33-15-22-27-28-24(34-22)23(30)26-19-7-4-6-18(13-19)25(31)29(3)14-20-8-5-9-32-20/h4-13H,14-15H2,1-3H3,(H,26,30)
InChIKeyVKZALYYDVIYCOB-UHFFFAOYSA-N
XLogP4.85
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332334
5-[(3,5-dimethylphenoxy)methyl]-N-[3-(propan-2-ylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332344
5-[(4-fluorophenoxy)methyl]-N-[3-[1-(furan-2-yl)propan-2-ylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332461
N-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 92872093
5-[(4-methylphenoxy)methyl]-N-[3-(2-thiophen-2-ylethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332536
5-[(4-fluorophenoxy)methyl]-N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332434
N-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332472
N-[3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]phenyl]-5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332526
5-[(4-methylphenoxy)methyl]-N-[3-(1-phenylethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332497
N-[4-(azepane-1-carbonyl)phenyl]-5-[(3,5-dimethylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332729
N-(furan-2-ylmethyl)-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 26711931
5-[(4-fluorophenoxy)methyl]-N-[3-(3-methoxypropylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332454

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylphenoxy)methyl]-N-[3-[furan-2-ylmethyl(methyl)carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethylphenoxy)methyl]-N-[3-[furan-2-ylmethyl(methyl)carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide (CID 46332361) is 5-[(3,5-dimethylphenoxy)methyl]-N-[3-[furan-2-ylmethyl(methyl)carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylphenoxy)methyl]-N-[3-[furan-2-ylmethyl(methyl)carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylphenoxy)methyl]-N-[3-[furan-2-ylmethyl(methyl)carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide is Cc1cc(C)cc(OCc2nnc(C(=O)Nc3cccc(C(=O)N(C)Cc4ccco4)c3)s2)c1.
What is the InChIKey of 5-[(3,5-dimethylphenoxy)methyl]-N-[3-[furan-2-ylmethyl(methyl)carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is VKZALYYDVIYCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-16-10-17(2)12-21(11-16)33-15-22-27-28-24(34-22)23(30)26-19-7-4-6-18(13-19)25(31)29(3)14-20-8-5-9-32-20/h4-13H,14-15H2,1-3H3,(H,26,30).
What are the key properties of 5-[(3,5-dimethylphenoxy)methyl]-N-[3-[furan-2-ylmethyl(methyl)carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide?
5-[(3,5-dimethylphenoxy)methyl]-N-[3-[furan-2-ylmethyl(methyl)carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 476.56 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylphenoxy)methyl]-N-[3-[furan-2-ylmethyl(methyl)carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46332361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).