2-methoxy-4-methylsulfanyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide

C19H19N3O2S2 — CID 1094114

IUPAC2-methoxy-4-methylsulfanyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1nnc(CCc2ccccc2)s1
InChIInChI=1S/C19H19N3O2S2/c1-24-16-12-14(25-2)9-10-15(16)18(23)20-19-22-21-17(26-19)11-8-13-6-4-3-5-7-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,20,22,23)
InChIKeyJYHRBJVBNRDAJX-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.31
Rot. Bonds7

About 2-methoxy-4-methylsulfanyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide

2-methoxy-4-methylsulfanyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 1094114) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-methoxy-4-methylsulfanyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-4-methylsulfanyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID1094114
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC Name2-methoxy-4-methylsulfanyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1nnc(CCc2ccccc2)s1
InChIInChI=1S/C19H19N3O2S2/c1-24-16-12-14(25-2)9-10-15(16)18(23)20-19-22-21-17(26-19)11-8-13-6-4-3-5-7-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,20,22,23)
InChIKeyJYHRBJVBNRDAJX-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-4-methylsulfanyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide 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

N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 777611
2-methoxy-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 897595
2,4-dimethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1094111
ethyl [(5E)-5-{[(2-methoxyphenyl)carbonyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetate
CID 665316
2-fluoro-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 697520
N-[5-(4-Fluoro-phenyl)-[1,3,4]thiadiazol-2-yl]-2-methoxy-benzamide
CID 741043
2,6-dimethoxy-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1150758
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 1451418
N-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 118707008
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 769411
2-ethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 750667
2-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 871221

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methylsulfanyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2-methoxy-4-methylsulfanyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 1094114) is 2-methoxy-4-methylsulfanyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-4-methylsulfanyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2-methoxy-4-methylsulfanyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide is COc1cc(SC)ccc1C(=O)Nc1nnc(CCc2ccccc2)s1.
What is the InChIKey of 2-methoxy-4-methylsulfanyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is JYHRBJVBNRDAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-24-16-12-14(25-2)9-10-15(16)18(23)20-19-22-21-17(26-19)11-8-13-6-4-3-5-7-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,20,22,23).
What are the key properties of 2-methoxy-4-methylsulfanyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
2-methoxy-4-methylsulfanyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 385.51 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methylsulfanyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 1094114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).