2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide

C10H17N3OS — CID 58563878

IUPAC2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCC(C)c1nsc(NC(=O)C(C)(C)C)n1
InChIInChI=1S/C10H17N3OS/c1-6(2)7-11-9(15-13-7)12-8(14)10(3,4)5/h6H,1-5H3,(H,11,12,13,14)
InChIKeyOUMGGIBIWLQCRG-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.65
Rot. Bonds2

About 2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide

2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide (PubChem CID 58563878) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide
PubChem CID58563878
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCC(C)c1nsc(NC(=O)C(C)(C)C)n1
InChIInChI=1S/C10H17N3OS/c1-6(2)7-11-9(15-13-7)12-8(14)10(3,4)5/h6H,1-5H3,(H,11,12,13,14)
InChIKeyOUMGGIBIWLQCRG-UHFFFAOYSA-N
XLogP2.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-N-(3-propan-2-yl-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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide (CID 58563878) is 2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide is CC(C)c1nsc(NC(=O)C(C)(C)C)n1.
What is the InChIKey of 2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide?
The InChIKey is OUMGGIBIWLQCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-6(2)7-11-9(15-13-7)12-8(14)10(3,4)5/h6H,1-5H3,(H,11,12,13,14).
What are the key properties of 2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide?
2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide has a molecular weight of 227.33 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide is sourced from PubChem (CID 58563878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).