2-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide

C9H16N4OS — CID 65277150

IUPAC2-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide
SMILESCCCc1nsc(NC(C)(C)C(N)=O)n1
InChIInChI=1S/C9H16N4OS/c1-4-5-6-11-8(15-13-6)12-9(2,3)7(10)14/h4-5H2,1-3H3,(H2,10,14)(H,11,12,13)
InChIKeyIGQBXJNWTGJLAO-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.17
Rot. Bonds5

About 2-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide

2-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide (PubChem CID 65277150) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide.

Molecular Properties

Compound Name2-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide
PubChem CID65277150
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name2-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide
SMILESCCCc1nsc(NC(C)(C)C(N)=O)n1
InChIInChI=1S/C9H16N4OS/c1-4-5-6-11-8(15-13-6)12-9(2,3)7(10)14/h4-5H2,1-3H3,(H2,10,14)(H,11,12,13)
InChIKeyIGQBXJNWTGJLAO-UHFFFAOYSA-N
XLogP1.17
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide?
The IUPAC name of 2-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide (CID 65277150) is 2-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide.
What is the SMILES notation for 2-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide?
The canonical SMILES for 2-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide is CCCc1nsc(NC(C)(C)C(N)=O)n1.
What is the InChIKey of 2-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide?
The InChIKey is IGQBXJNWTGJLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-4-5-6-11-8(15-13-6)12-9(2,3)7(10)14/h4-5H2,1-3H3,(H2,10,14)(H,11,12,13).
What are the key properties of 2-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide?
2-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide has a molecular weight of 228.32 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide is sourced from PubChem (CID 65277150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).