2-(2-methoxyethylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

C13H15N3O2S2 — CID 2218468

IUPAC2-(2-methoxyethylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOCCSc1ccccc1C(=O)Nc1nnc(C)s1
InChIInChI=1S/C13H15N3O2S2/c1-9-15-16-13(20-9)14-12(17)10-5-3-4-6-11(10)19-8-7-18-2/h3-6H,7-8H2,1-2H3,(H,14,16,17)
InChIKeyYRNRMTXPKCSCRY-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.84
Rot. Bonds6

About 2-(2-methoxyethylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

2-(2-methoxyethylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 2218468) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID2218468
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC Name2-(2-methoxyethylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOCCSc1ccccc1C(=O)Nc1nnc(C)s1
InChIInChI=1S/C13H15N3O2S2/c1-9-15-16-13(20-9)14-12(17)10-5-3-4-6-11(10)19-8-7-18-2/h3-6H,7-8H2,1-2H3,(H,14,16,17)
InChIKeyYRNRMTXPKCSCRY-UHFFFAOYSA-N
XLogP2.84
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 821478
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide
CID 816787
4-(difluoromethylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2444277
3-fluoro-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 3152692
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 665475
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
CID 871615
N-(5-Methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 569553
N-(5-Ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 569586
N-(5-benzyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 644784
2-(2-methoxyethylthio)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 654230
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 739607

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-(2-methoxyethylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 2218468) is 2-(2-methoxyethylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is COCCSc1ccccc1C(=O)Nc1nnc(C)s1.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is YRNRMTXPKCSCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c1-9-15-16-13(20-9)14-12(17)10-5-3-4-6-11(10)19-8-7-18-2/h3-6H,7-8H2,1-2H3,(H,14,16,17).
What are the key properties of 2-(2-methoxyethylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
2-(2-methoxyethylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 309.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 2218468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).