N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methylpropanamide

C10H17N3OS — CID 67953148

IUPACN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(C(C)(C)C)ns1
InChIInChI=1S/C10H17N3OS/c1-6(2)7(14)11-9-12-8(13-15-9)10(3,4)5/h6H,1-5H3,(H,11,12,13,14)
InChIKeyKBOMAAALTPBBAV-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.43
Rot. Bonds2

About N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methylpropanamide

N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methylpropanamide (PubChem CID 67953148) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methylpropanamide
PubChem CID67953148
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(C(C)(C)C)ns1
InChIInChI=1S/C10H17N3OS/c1-6(2)7(14)11-9-12-8(13-15-9)10(3,4)5/h6H,1-5H3,(H,11,12,13,14)
InChIKeyKBOMAAALTPBBAV-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methylpropanamide 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

CID 16455953
CID 16455953
CID 132374555
CID 132374555
CID 132322154
CID 132322154
CID 20719842
CID 20719842
CID 20719844
CID 20719844
CID 20719845
CID 20719845
CID 21688984
CID 21688984
CID 57911698
CID 57911698
CID 58563878
CID 58563878
CID 58563930
CID 58563930
CID 67878623
CID 67878623
CID 67953665
CID 67953665

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methylpropanamide?
The IUPAC name of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methylpropanamide (CID 67953148) is N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methylpropanamide.
What is the SMILES notation for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methylpropanamide?
The canonical SMILES for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methylpropanamide is CC(C)C(=O)Nc1nc(C(C)(C)C)ns1.
What is the InChIKey of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methylpropanamide?
The InChIKey is KBOMAAALTPBBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-6(2)7(14)11-9-12-8(13-15-9)10(3,4)5/h6H,1-5H3,(H,11,12,13,14).
What are the key properties of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methylpropanamide?
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methylpropanamide has a molecular weight of 227.33 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methylpropanamide is sourced from PubChem (CID 67953148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).