4-acetamido-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide

C11H17N3O2S — CID 86285742

IUPAC4-acetamido-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide
SMILESCC(=O)NCCCC(=O)N(C)Cc1nccs1
InChIInChI=1S/C11H17N3O2S/c1-9(15)12-5-3-4-11(16)14(2)8-10-13-6-7-17-10/h6-7H,3-5,8H2,1-2H3,(H,12,15)
InChIKeyXVLMWBNWGSLWOH-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.02
Rot. Bonds6

About 4-acetamido-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide

4-acetamido-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide (PubChem CID 86285742) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-acetamido-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-acetamido-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide
PubChem CID86285742
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4-acetamido-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide
SMILESCC(=O)NCCCC(=O)N(C)Cc1nccs1
InChIInChI=1S/C11H17N3O2S/c1-9(15)12-5-3-4-11(16)14(2)8-10-13-6-7-17-10/h6-7H,3-5,8H2,1-2H3,(H,12,15)
InChIKeyXVLMWBNWGSLWOH-UHFFFAOYSA-N
XLogP1.02
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-acetamido-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide?
The IUPAC name of 4-acetamido-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide (CID 86285742) is 4-acetamido-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide.
What is the SMILES notation for 4-acetamido-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide?
The canonical SMILES for 4-acetamido-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide is CC(=O)NCCCC(=O)N(C)Cc1nccs1.
What is the InChIKey of 4-acetamido-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide?
The InChIKey is XVLMWBNWGSLWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-9(15)12-5-3-4-11(16)14(2)8-10-13-6-7-17-10/h6-7H,3-5,8H2,1-2H3,(H,12,15).
What are the key properties of 4-acetamido-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide?
4-acetamido-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide has a molecular weight of 255.34 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide is sourced from PubChem (CID 86285742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).