4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]butanamide

C10H15N3O2S — CID 79363413

IUPAC4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]butanamide
SMILESCC(=O)c1c(C)nsc1NCCCC(N)=O
InChIInChI=1S/C10H15N3O2S/c1-6-9(7(2)14)10(16-13-6)12-5-3-4-8(11)15/h12H,3-5H2,1-2H3,(H2,11,15)
InChIKeyIYJNIJHFRKHNRY-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.33
Rot. Bonds6

About 4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]butanamide

4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]butanamide (PubChem CID 79363413) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]butanamide.

Molecular Properties

Compound Name4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]butanamide
PubChem CID79363413
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]butanamide
SMILESCC(=O)c1c(C)nsc1NCCCC(N)=O
InChIInChI=1S/C10H15N3O2S/c1-6-9(7(2)14)10(16-13-6)12-5-3-4-8(11)15/h12H,3-5H2,1-2H3,(H2,11,15)
InChIKeyIYJNIJHFRKHNRY-UHFFFAOYSA-N
XLogP1.33
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]butanamide?
The IUPAC name of 4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]butanamide (CID 79363413) is 4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]butanamide.
What is the SMILES notation for 4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]butanamide?
The canonical SMILES for 4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]butanamide is CC(=O)c1c(C)nsc1NCCCC(N)=O.
What is the InChIKey of 4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]butanamide?
The InChIKey is IYJNIJHFRKHNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-6-9(7(2)14)10(16-13-6)12-5-3-4-8(11)15/h12H,3-5H2,1-2H3,(H2,11,15).
What are the key properties of 4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]butanamide?
4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]butanamide has a molecular weight of 241.32 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]butanamide is sourced from PubChem (CID 79363413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).