3-(3,5-dimethylphenoxy)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide

C19H19N3O2S2 — CID 60549520

IUPAC3-(3,5-dimethylphenoxy)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide
SMILESCc1cc(C)cc(OCCC(=O)Nc2ccc(Sc3nncs3)cc2)c1
InChIInChI=1S/C19H19N3O2S2/c1-13-9-14(2)11-16(10-13)24-8-7-18(23)21-15-3-5-17(6-4-15)26-19-22-20-12-25-19/h3-6,9-12H,7-8H2,1-2H3,(H,21,23)
InChIKeyCJDYZHLZLKLYTA-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.71
Rot. Bonds7

About 3-(3,5-dimethylphenoxy)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide

3-(3,5-dimethylphenoxy)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide (PubChem CID 60549520) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide
PubChem CID60549520
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC Name3-(3,5-dimethylphenoxy)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide
SMILESCc1cc(C)cc(OCCC(=O)Nc2ccc(Sc3nncs3)cc2)c1
InChIInChI=1S/C19H19N3O2S2/c1-13-9-14(2)11-16(10-13)24-8-7-18(23)21-15-3-5-17(6-4-15)26-19-22-20-12-25-19/h3-6,9-12H,7-8H2,1-2H3,(H,21,23)
InChIKeyCJDYZHLZLKLYTA-UHFFFAOYSA-N
XLogP4.71
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3,5-dimethylphenoxy)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide with MolForge

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Related Compounds

[4-[3-(3,5-dimethylphenoxy)propanoylamino]phenyl] thiocyanate
CID 17034710
4-amino-3-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]butanamide;hydrochloride
CID 120590715
3-(3,5-dimethylphenoxy)-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 46584839
methyl 2-[4-[3-(3,5-dimethylphenoxy)propanoylamino]phenoxy]acetate
CID 55709060
(2S)-2-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide
CID 94210728
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 55920830
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(3,5-dimethylphenoxy)propanamide
CID 35505939
(2R)-2-ethoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]butanamide
CID 94668314
N-(3,5-dimethylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532387
cis-(1R,2S)-2-methyl-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]cyclopropane-1-carboxamide
CID 94210735
3-(3,5-dimethylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55573139
N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide
CID 91942531

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide?
The IUPAC name of 3-(3,5-dimethylphenoxy)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide (CID 60549520) is 3-(3,5-dimethylphenoxy)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide is Cc1cc(C)cc(OCCC(=O)Nc2ccc(Sc3nncs3)cc2)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide?
The InChIKey is CJDYZHLZLKLYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-13-9-14(2)11-16(10-13)24-8-7-18(23)21-15-3-5-17(6-4-15)26-19-22-20-12-25-19/h3-6,9-12H,7-8H2,1-2H3,(H,21,23).
What are the key properties of 3-(3,5-dimethylphenoxy)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide?
3-(3,5-dimethylphenoxy)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide has a molecular weight of 385.51 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide is sourced from PubChem (CID 60549520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).