2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide

C18H21N5O2S2 — CID 37085449

IUPAC2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCCc1nnc(NC(=O)c2ccccc2SCc2noc(C)n2)s1
InChIInChI=1S/C18H21N5O2S2/c1-3-4-5-10-16-21-22-18(27-16)20-17(24)13-8-6-7-9-14(13)26-11-15-19-12(2)25-23-15/h6-9H,3-5,10-11H2,1-2H3,(H,20,22,24)
InChIKeyGSNDKHUQAVZFFN-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.51
Rot. Bonds9

About 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 37085449) has the molecular formula C18H21N5O2S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID37085449
Molecular FormulaC18H21N5O2S2
Molecular Weight403.53 g/mol
Exact Mass403.11
IUPAC Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCCc1nnc(NC(=O)c2ccccc2SCc2noc(C)n2)s1
InChIInChI=1S/C18H21N5O2S2/c1-3-4-5-10-16-21-22-18(27-16)20-17(24)13-8-6-7-9-14(13)26-11-15-19-12(2)25-23-15/h6-9H,3-5,10-11H2,1-2H3,(H,20,22,24)
InChIKeyGSNDKHUQAVZFFN-UHFFFAOYSA-N
XLogP4.51
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 37095800
N-(4-butylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 46549403
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55432910
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 34114329
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 36859277
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide
CID 55792983
N-(4-bromophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 46530867
N-(5-hexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 3099838
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 71943116
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
CID 40535473
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 55543342
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(thiophen-2-ylmethyl)benzamide
CID 36943338

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide (CID 37085449) is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide is CCCCCc1nnc(NC(=O)c2ccccc2SCc2noc(C)n2)s1.
What is the InChIKey of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is GSNDKHUQAVZFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S2/c1-3-4-5-10-16-21-22-18(27-16)20-17(24)13-8-6-7-9-14(13)26-11-15-19-12(2)25-23-15/h6-9H,3-5,10-11H2,1-2H3,(H,20,22,24).
What are the key properties of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide?
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 403.53 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 37085449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).