N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide

C15H15N5O2S3 — CID 3236911

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESCCc1nnc(NC(=O)CSc2nc(-c3ccc(OC)cc3)ns2)s1
InChIInChI=1S/C15H15N5O2S3/c1-3-12-18-19-14(24-12)16-11(21)8-23-15-17-13(20-25-15)9-4-6-10(22-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,16,19,21)
InChIKeyXBFFBLMEEPOOFT-UHFFFAOYSA-N
MW393.52 g/mol
LogP3.36
Rot. Bonds7

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (PubChem CID 3236911) has the molecular formula C15H15N5O2S3 and a molecular weight of 393.52 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
PubChem CID3236911
Molecular FormulaC15H15N5O2S3
Molecular Weight393.52 g/mol
Exact Mass393.04
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESCCc1nnc(NC(=O)CSc2nc(-c3ccc(OC)cc3)ns2)s1
InChIInChI=1S/C15H15N5O2S3/c1-3-12-18-19-14(24-12)16-11(21)8-23-15-17-13(20-25-15)9-4-6-10(22-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,16,19,21)
InChIKeyXBFFBLMEEPOOFT-UHFFFAOYSA-N
XLogP3.36
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (CID 3236911) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is CCc1nnc(NC(=O)CSc2nc(-c3ccc(OC)cc3)ns2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The InChIKey is XBFFBLMEEPOOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S3/c1-3-12-18-19-14(24-12)16-11(21)8-23-15-17-13(20-25-15)9-4-6-10(22-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,16,19,21).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide has a molecular weight of 393.52 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 3236911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).