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

C13H12N4O2S2 — CID 767834

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESCc1nnc(NC(=O)CCn2c(=O)sc3ccccc32)s1
InChIInChI=1S/C13H12N4O2S2/c1-8-15-16-12(20-8)14-11(18)6-7-17-9-4-2-3-5-10(9)21-13(17)19/h2-5H,6-7H2,1H3,(H,14,16,18)
InChIKeyZGXQXPLVGCHNLG-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.25
Rot. Bonds4

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

N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (PubChem CID 767834) has the molecular formula C13H12N4O2S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
PubChem CID767834
Molecular FormulaC13H12N4O2S2
Molecular Weight320.40 g/mol
Exact Mass320.04
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESCc1nnc(NC(=O)CCn2c(=O)sc3ccccc32)s1
InChIInChI=1S/C13H12N4O2S2/c1-8-15-16-12(20-8)14-11(18)6-7-17-9-4-2-3-5-10(9)21-13(17)19/h2-5H,6-7H2,1H3,(H,14,16,18)
InChIKeyZGXQXPLVGCHNLG-UHFFFAOYSA-N
XLogP2.25
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide 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)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (CID 767834) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is Cc1nnc(NC(=O)CCn2c(=O)sc3ccccc32)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The InChIKey is ZGXQXPLVGCHNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S2/c1-8-15-16-12(20-8)14-11(18)6-7-17-9-4-2-3-5-10(9)21-13(17)19/h2-5H,6-7H2,1H3,(H,14,16,18).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide has a molecular weight of 320.40 g/mol, XLogP of 2.25, 4 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)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is sourced from PubChem (CID 767834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).