2-[[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-3-methylbutanamide

C10H18N4O2S — CID 114268329

IUPAC2-[[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-3-methylbutanamide
SMILESCOC(C)c1nsc(NC(C(N)=O)C(C)C)n1
InChIInChI=1S/C10H18N4O2S/c1-5(2)7(8(11)15)12-10-13-9(14-17-10)6(3)16-4/h5-7H,1-4H3,(H2,11,15)(H,12,13,14)
InChIKeyVFGWPXGDBMHRJR-UHFFFAOYSA-N
MW258.35 g/mol
LogP1.17
Rot. Bonds6

About 2-[[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-3-methylbutanamide

2-[[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-3-methylbutanamide (PubChem CID 114268329) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-[[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-3-methylbutanamide
PubChem CID114268329
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name2-[[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-3-methylbutanamide
SMILESCOC(C)c1nsc(NC(C(N)=O)C(C)C)n1
InChIInChI=1S/C10H18N4O2S/c1-5(2)7(8(11)15)12-10-13-9(14-17-10)6(3)16-4/h5-7H,1-4H3,(H2,11,15)(H,12,13,14)
InChIKeyVFGWPXGDBMHRJR-UHFFFAOYSA-N
XLogP1.17
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-3-methylbutanamide 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-[[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-3-methylbutanamide?
The IUPAC name of 2-[[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-3-methylbutanamide (CID 114268329) is 2-[[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-3-methylbutanamide.
What is the SMILES notation for 2-[[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-3-methylbutanamide?
The canonical SMILES for 2-[[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-3-methylbutanamide is COC(C)c1nsc(NC(C(N)=O)C(C)C)n1.
What is the InChIKey of 2-[[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-3-methylbutanamide?
The InChIKey is VFGWPXGDBMHRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-5(2)7(8(11)15)12-10-13-9(14-17-10)6(3)16-4/h5-7H,1-4H3,(H2,11,15)(H,12,13,14).
What are the key properties of 2-[[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-3-methylbutanamide?
2-[[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-3-methylbutanamide has a molecular weight of 258.35 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-3-methylbutanamide is sourced from PubChem (CID 114268329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).