2,2-dimethyl-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide

C12H15N5O2S3 — CID 4135527

IUPAC2,2-dimethyl-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1nnc(SCC(=O)Nc2nccs2)s1
InChIInChI=1S/C12H15N5O2S3/c1-12(2,3)8(19)15-10-16-17-11(22-10)21-6-7(18)14-9-13-4-5-20-9/h4-5H,6H2,1-3H3,(H,13,14,18)(H,15,16,19)
InChIKeyYYVANPLKYIMGBH-UHFFFAOYSA-N
MW357.49 g/mol
LogP2.71
Rot. Bonds5

About 2,2-dimethyl-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide

2,2-dimethyl-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 4135527) has the molecular formula C12H15N5O2S3 and a molecular weight of 357.49 g/mol. Its IUPAC name is 2,2-dimethyl-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID4135527
Molecular FormulaC12H15N5O2S3
Molecular Weight357.49 g/mol
Exact Mass357.04
IUPAC Name2,2-dimethyl-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1nnc(SCC(=O)Nc2nccs2)s1
InChIInChI=1S/C12H15N5O2S3/c1-12(2,3)8(19)15-10-16-17-11(22-10)21-6-7(18)14-9-13-4-5-20-9/h4-5H,6H2,1-3H3,(H,13,14,18)(H,15,16,19)
InChIKeyYYVANPLKYIMGBH-UHFFFAOYSA-N
XLogP2.71
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-oxo-2-(1,3-thiazol-2-ylamino)ethyl]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-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide (CID 4135527) is 2,2-dimethyl-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide is CC(C)(C)C(=O)Nc1nnc(SCC(=O)Nc2nccs2)s1.
What is the InChIKey of 2,2-dimethyl-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is YYVANPLKYIMGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S3/c1-12(2,3)8(19)15-10-16-17-11(22-10)21-6-7(18)14-9-13-4-5-20-9/h4-5H,6H2,1-3H3,(H,13,14,18)(H,15,16,19).
What are the key properties of 2,2-dimethyl-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide?
2,2-dimethyl-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 357.49 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 4135527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).