2,2-dimethyl-N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide

C12H16N6O2S3 — CID 5244883

IUPAC2,2-dimethyl-N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
SMILESCc1nnc(NC(=O)CSc2nnc(NC(=O)C(C)(C)C)s2)s1
InChIInChI=1S/C12H16N6O2S3/c1-6-15-16-9(22-6)13-7(19)5-21-11-18-17-10(23-11)14-8(20)12(2,3)4/h5H2,1-4H3,(H,13,16,19)(H,14,17,20)
InChIKeyJKWZONGDCJTSBX-UHFFFAOYSA-N
MW372.50 g/mol
LogP2.41
Rot. Bonds5

About 2,2-dimethyl-N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide

2,2-dimethyl-N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 5244883) has the molecular formula C12H16N6O2S3 and a molecular weight of 372.50 g/mol. Its IUPAC name is 2,2-dimethyl-N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID5244883
Molecular FormulaC12H16N6O2S3
Molecular Weight372.50 g/mol
Exact Mass372.05
IUPAC Name2,2-dimethyl-N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
SMILESCc1nnc(NC(=O)CSc2nnc(NC(=O)C(C)(C)C)s2)s1
InChIInChI=1S/C12H16N6O2S3/c1-6-15-16-9(22-6)13-7(19)5-21-11-18-17-10(23-11)14-8(20)12(2,3)4/h5H2,1-4H3,(H,13,16,19)(H,14,17,20)
InChIKeyJKWZONGDCJTSBX-UHFFFAOYSA-N
XLogP2.41
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-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 2,2-dimethyl-N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide (CID 5244883) is 2,2-dimethyl-N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide is Cc1nnc(NC(=O)CSc2nnc(NC(=O)C(C)(C)C)s2)s1.
What is the InChIKey of 2,2-dimethyl-N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is JKWZONGDCJTSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2S3/c1-6-15-16-9(22-6)13-7(19)5-21-11-18-17-10(23-11)14-8(20)12(2,3)4/h5H2,1-4H3,(H,13,16,19)(H,14,17,20).
What are the key properties of 2,2-dimethyl-N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide?
2,2-dimethyl-N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 372.50 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 5244883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).