N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(3-methylphenoxy)acetamide

C20H19N3O3S — CID 6172639

IUPACN-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(3-methylphenoxy)acetamide
SMILESCOc1ccc(/C=C/c2nnc(NC(=O)COc3cccc(C)c3)s2)cc1
InChIInChI=1S/C20H19N3O3S/c1-14-4-3-5-17(12-14)26-13-18(24)21-20-23-22-19(27-20)11-8-15-6-9-16(25-2)10-7-15/h3-12H,13H2,1-2H3,(H,21,23,24)/b11-8+
InChIKeyWFXMRDBNEANBLM-DHZHZOJOSA-N
MW381.46 g/mol
LogP4.04
Rot. Bonds7

About N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(3-methylphenoxy)acetamide

N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(3-methylphenoxy)acetamide (PubChem CID 6172639) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(3-methylphenoxy)acetamide
PubChem CID6172639
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(3-methylphenoxy)acetamide
SMILESCOc1ccc(/C=C/c2nnc(NC(=O)COc3cccc(C)c3)s2)cc1
InChIInChI=1S/C20H19N3O3S/c1-14-4-3-5-17(12-14)26-13-18(24)21-20-23-22-19(27-20)11-8-15-6-9-16(25-2)10-7-15/h3-12H,13H2,1-2H3,(H,21,23,24)/b11-8+
InChIKeyWFXMRDBNEANBLM-DHZHZOJOSA-N
XLogP4.04
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl}pentanamide
CID 5925639
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 6243506
N-(5-Cyclohexyl-[1,3,4]thiadiazol-2-yl)-2-o-tolyloxy-acetamide
CID 929487
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 3876898
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 5912559
N-[5-[(E)-2-(4-methoxyphenyl)vinyl]-1,3,4-thiadiazol-2-yl]-2-(p-tolylthio)acetamide
CID 5931256
N-{5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-[1,3,4]thiadiazol-2-yl}-2-p-tolyloxy-acetamide
CID 6230690
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenoxy)acetamide
CID 976078
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 5851140
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 5904691
N-[5-(3,4-Dimethoxy-benzyl)-[1,3,4]thiadiazol-2-yl]-2-ethoxy-acetamide
CID 648343
N-[5-(3,4-Dimethoxy-benzyl)-[1,3,4]thiadiazol-2-yl]-2-methoxy-acetamide
CID 651157

Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(3-methylphenoxy)acetamide (CID 6172639) is N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(3-methylphenoxy)acetamide is COc1ccc(/C=C/c2nnc(NC(=O)COc3cccc(C)c3)s2)cc1.
What is the InChIKey of N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(3-methylphenoxy)acetamide?
The InChIKey is WFXMRDBNEANBLM-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-14-4-3-5-17(12-14)26-13-18(24)21-20-23-22-19(27-20)11-8-15-6-9-16(25-2)10-7-15/h3-12H,13H2,1-2H3,(H,21,23,24)/b11-8+.
What are the key properties of N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(3-methylphenoxy)acetamide?
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(3-methylphenoxy)acetamide has a molecular weight of 381.46 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 6172639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).