2-cyano-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide

C7H8N4OS — CID 131018846

IUPAC2-cyano-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide
SMILESCC(C)(C#N)C(=O)Nc1ncns1
InChIInChI=1S/C7H8N4OS/c1-7(2,3-8)5(12)11-6-9-4-10-13-6/h4H,1-2H3,(H,9,10,11,12)
InChIKeyYBFLRCVBFXQHLD-UHFFFAOYSA-N
MW196.24 g/mol
LogP1.03
Rot. Bonds2

About 2-cyano-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide

2-cyano-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide (PubChem CID 131018846) has the molecular formula C7H8N4OS and a molecular weight of 196.24 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide
PubChem CID131018846
Molecular FormulaC7H8N4OS
Molecular Weight196.24 g/mol
Exact Mass196.04
IUPAC Name2-cyano-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide
SMILESCC(C)(C#N)C(=O)Nc1ncns1
InChIInChI=1S/C7H8N4OS/c1-7(2,3-8)5(12)11-6-9-4-10-13-6/h4H,1-2H3,(H,9,10,11,12)
InChIKeyYBFLRCVBFXQHLD-UHFFFAOYSA-N
XLogP1.03
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyano-2-methyl-N-(1,2,4-thiadiazol-5-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

Related Compounds

2-cyano-N-(1,2,4-thiadiazol-5-yl)acetamide
CID 108450557
N-(1,2,4-thiadiazol-5-yl)propanamide
CID 108460615
2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide
CID 108462802
2,2-dimethyl-N-(1,2,4-thiadiazol-5-yl)propanamide
CID 108463109
2,2-Dimethyl-3-(1,2,4-thiadiazol-5-ylamino)propanamide
CID 103865828
N,2,2-trimethyl-3-(1,2,4-thiadiazol-5-ylamino)propanamide
CID 103865974
3-methyl-N-(1,2,4-thiadiazol-5-yl)butanamide
CID 108451689
N-(1,2,4-thiadiazol-5-yl)butanamide
CID 108483035
3-chloro-2,2-dimethyl-N-(1,2,4-thiadiazol-5-yl)propanamide
CID 108483678
3,3-dimethyl-N-(1,2,4-thiadiazol-5-yl)butanamide
CID 108484159
2,2-dimethyl-N-(1,2,4-thiadiazol-5-yl)butanamide
CID 130634806

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide?
The IUPAC name of 2-cyano-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide (CID 131018846) is 2-cyano-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide?
The canonical SMILES for 2-cyano-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide is CC(C)(C#N)C(=O)Nc1ncns1.
What is the InChIKey of 2-cyano-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide?
The InChIKey is YBFLRCVBFXQHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c1-7(2,3-8)5(12)11-6-9-4-10-13-6/h4H,1-2H3,(H,9,10,11,12).
What are the key properties of 2-cyano-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide?
2-cyano-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide has a molecular weight of 196.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide is sourced from PubChem (CID 131018846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).