N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide

C15H19N3O2S2 — CID 134706786

IUPACN-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCOC(C)c1nnc(NC(=O)CSCc2ccccc2C)s1
InChIInChI=1S/C15H19N3O2S2/c1-10-6-4-5-7-12(10)8-21-9-13(19)16-15-18-17-14(22-15)11(2)20-3/h4-7,11H,8-9H2,1-3H3,(H,16,18,19)
InChIKeyXJRJEGUVRXURAE-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.43
Rot. Bonds7

About N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide

N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide (PubChem CID 134706786) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
PubChem CID134706786
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC NameN-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCOC(C)c1nnc(NC(=O)CSCc2ccccc2C)s1
InChIInChI=1S/C15H19N3O2S2/c1-10-6-4-5-7-12(10)8-21-9-13(19)16-15-18-17-14(22-15)11(2)20-3/h4-7,11H,8-9H2,1-3H3,(H,16,18,19)
InChIKeyXJRJEGUVRXURAE-UHFFFAOYSA-N
XLogP3.43
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 134706263
N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 134711049
2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 875299
N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylbenzamide
CID 134697182
N-(2-ethyl-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 893537
2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 2498614
ethyl 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoate
CID 2669314
2-(2-cyclopropylbenzimidazol-1-yl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 134699026
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 100754154
N-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 7985076
N-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 875874
N-(2-amino-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 62772095

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide (CID 134706786) is N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide is COC(C)c1nnc(NC(=O)CSCc2ccccc2C)s1.
What is the InChIKey of N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is XJRJEGUVRXURAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-10-6-4-5-7-12(10)8-21-9-13(19)16-15-18-17-14(22-15)11(2)20-3/h4-7,11H,8-9H2,1-3H3,(H,16,18,19).
What are the key properties of N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 337.47 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 134706786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).