2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

C13H15N3O2S3 — CID 4805191

IUPAC2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCOc1ccc(CSc2nnc(SC(C)C(N)=O)s2)cc1
InChIInChI=1S/C13H15N3O2S3/c1-8(11(14)17)20-13-16-15-12(21-13)19-7-9-3-5-10(18-2)6-4-9/h3-6,8H,7H2,1-2H3,(H2,14,17)
InChIKeySHRXSFBXDJRBPY-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.80
Rot. Bonds7

About 2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (PubChem CID 4805191) has the molecular formula C13H15N3O2S3 and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
PubChem CID4805191
Molecular FormulaC13H15N3O2S3
Molecular Weight341.48 g/mol
Exact Mass341.03
IUPAC Name2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCOc1ccc(CSc2nnc(SC(C)C(N)=O)s2)cc1
InChIInChI=1S/C13H15N3O2S3/c1-8(11(14)17)20-13-16-15-12(21-13)19-7-9-3-5-10(18-2)6-4-9/h3-6,8H,7H2,1-2H3,(H2,14,17)
InChIKeySHRXSFBXDJRBPY-UHFFFAOYSA-N
XLogP2.80
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-Fluoro-4-methoxyphenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole
CID 683741
Methyl ((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate
CID 974147
Dithioether 1,3,4-thiadiazole, 8c
CID 1102101
N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532354
5-(3-Fluoro-4-methoxy-benzylsulfanyl)-[1,3,4]thiadiazol-2-ylamine
CID 644845
(5-Methyl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetic acid [1-(4-methoxy-phenyl)-eth-(Z)-ylidene]-hydrazide
CID 6375861
1,3,4-Thiadiazol-2-amine, 5-[[(4-methoxyphenyl)methyl]thio]-
CID 673902
N-[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 10685303
2,5-Bis[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazole
CID 1893037
2-(Benzylthio)-5-((4-methoxybenzyl)thio)-1,3,4-thiadiazole
CID 1544128
4-Methylphenyl ((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate
CID 5220079
2-[(4-Methoxyphenyl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole
CID 790860

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of 2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (CID 4805191) is 2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for 2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for 2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is COc1ccc(CSc2nnc(SC(C)C(N)=O)s2)cc1.
What is the InChIKey of 2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is SHRXSFBXDJRBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S3/c1-8(11(14)17)20-13-16-15-12(21-13)19-7-9-3-5-10(18-2)6-4-9/h3-6,8H,7H2,1-2H3,(H2,14,17).
What are the key properties of 2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 341.48 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 4805191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).