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

C13H13N3O2S2 — CID 1294565

IUPAC4-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzamide
SMILESCc1ccc(C(=O)NC(=O)CSc2nnc(C)s2)cc1
InChIInChI=1S/C13H13N3O2S2/c1-8-3-5-10(6-4-8)12(18)14-11(17)7-19-13-16-15-9(2)20-13/h3-6H,7H2,1-2H3,(H,14,17,18)
InChIKeySDZKKBQUERHDFE-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.20
Rot. Bonds4

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

4-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzamide (PubChem CID 1294565) has the molecular formula C13H13N3O2S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzamide
PubChem CID1294565
Molecular FormulaC13H13N3O2S2
Molecular Weight307.40 g/mol
Exact Mass307.04
IUPAC Name4-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzamide
SMILESCc1ccc(C(=O)NC(=O)CSc2nnc(C)s2)cc1
InChIInChI=1S/C13H13N3O2S2/c1-8-3-5-10(6-4-8)12(18)14-11(17)7-19-13-16-15-9(2)20-13/h3-6H,7H2,1-2H3,(H,14,17,18)
InChIKeySDZKKBQUERHDFE-UHFFFAOYSA-N
XLogP2.20
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzamide 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 4-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzamide?
The IUPAC name of 4-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzamide (CID 1294565) is 4-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzamide is Cc1ccc(C(=O)NC(=O)CSc2nnc(C)s2)cc1.
What is the InChIKey of 4-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzamide?
The InChIKey is SDZKKBQUERHDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S2/c1-8-3-5-10(6-4-8)12(18)14-11(17)7-19-13-16-15-9(2)20-13/h3-6H,7H2,1-2H3,(H,14,17,18).
What are the key properties of 4-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzamide?
4-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzamide has a molecular weight of 307.40 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzamide is sourced from PubChem (CID 1294565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).