N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

C12H10N4O2S2 — CID 4609969

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESCc1nnc(NC(=O)Cn2c(=O)sc3ccccc32)s1
InChIInChI=1S/C12H10N4O2S2/c1-7-14-15-11(19-7)13-10(17)6-16-8-4-2-3-5-9(8)20-12(16)18/h2-5H,6H2,1H3,(H,13,15,17)
InChIKeyILUMVAAQBCIJFA-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.86
Rot. Bonds3

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide (PubChem CID 4609969) has the molecular formula C12H10N4O2S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
PubChem CID4609969
Molecular FormulaC12H10N4O2S2
Molecular Weight306.37 g/mol
Exact Mass306.02
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESCc1nnc(NC(=O)Cn2c(=O)sc3ccccc32)s1
InChIInChI=1S/C12H10N4O2S2/c1-7-14-15-11(19-7)13-10(17)6-16-8-4-2-3-5-9(8)20-12(16)18/h2-5H,6H2,1H3,(H,13,15,17)
InChIKeyILUMVAAQBCIJFA-UHFFFAOYSA-N
XLogP1.86
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)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-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide (CID 4609969) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide is Cc1nnc(NC(=O)Cn2c(=O)sc3ccccc32)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The InChIKey is ILUMVAAQBCIJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S2/c1-7-14-15-11(19-7)13-10(17)6-16-8-4-2-3-5-9(8)20-12(16)18/h2-5H,6H2,1H3,(H,13,15,17).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide has a molecular weight of 306.37 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide is sourced from PubChem (CID 4609969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).