N-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide

C14H16N4O3S2 — CID 7969338

IUPACN-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide
SMILESCOCCNc1nnc(SCC(=O)NC(=O)c2ccccc2)s1
InChIInChI=1S/C14H16N4O3S2/c1-21-8-7-15-13-17-18-14(23-13)22-9-11(19)16-12(20)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,15,17)(H,16,19,20)
InChIKeyAWPAFADJXZPDLX-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.65
Rot. Bonds8

About N-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide

N-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide (PubChem CID 7969338) has the molecular formula C14H16N4O3S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide.

Molecular Properties

Compound NameN-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide
PubChem CID7969338
Molecular FormulaC14H16N4O3S2
Molecular Weight352.44 g/mol
Exact Mass352.07
IUPAC NameN-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide
SMILESCOCCNc1nnc(SCC(=O)NC(=O)c2ccccc2)s1
InChIInChI=1S/C14H16N4O3S2/c1-21-8-7-15-13-17-18-14(23-13)22-9-11(19)16-12(20)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,15,17)(H,16,19,20)
InChIKeyAWPAFADJXZPDLX-UHFFFAOYSA-N
XLogP1.65
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide?
The IUPAC name of N-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide (CID 7969338) is N-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide.
What is the SMILES notation for N-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide?
The canonical SMILES for N-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide is COCCNc1nnc(SCC(=O)NC(=O)c2ccccc2)s1.
What is the InChIKey of N-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide?
The InChIKey is AWPAFADJXZPDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S2/c1-21-8-7-15-13-17-18-14(23-13)22-9-11(19)16-12(20)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,15,17)(H,16,19,20).
What are the key properties of N-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide?
N-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide has a molecular weight of 352.44 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide is sourced from PubChem (CID 7969338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).