3-methyl-N-(1,3-thiazol-2-yl)butanamide

C8H12N2OS — CID 4138253

IUPAC3-methyl-N-(1,3-thiazol-2-yl)butanamide
SMILESCC(C)CC(=O)Nc1nccs1
InChIInChI=1S/C8H12N2OS/c1-6(2)5-7(11)10-8-9-3-4-12-8/h3-4,6H,5H2,1-2H3,(H,9,10,11)
InChIKeyHVDIOPXCFGNGFE-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.13
Rot. Bonds3

About 3-methyl-N-(1,3-thiazol-2-yl)butanamide

3-methyl-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 4138253) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 3-methyl-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(1,3-thiazol-2-yl)butanamide
PubChem CID4138253
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name3-methyl-N-(1,3-thiazol-2-yl)butanamide
SMILESCC(C)CC(=O)Nc1nccs1
InChIInChI=1S/C8H12N2OS/c1-6(2)5-7(11)10-8-9-3-4-12-8/h3-4,6H,5H2,1-2H3,(H,9,10,11)
InChIKeyHVDIOPXCFGNGFE-UHFFFAOYSA-N
XLogP2.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 3-methyl-N-(1,3-thiazol-2-yl)butanamide (CID 4138253) is 3-methyl-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 3-methyl-N-(1,3-thiazol-2-yl)butanamide is CC(C)CC(=O)Nc1nccs1.
What is the InChIKey of 3-methyl-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is HVDIOPXCFGNGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-6(2)5-7(11)10-8-9-3-4-12-8/h3-4,6H,5H2,1-2H3,(H,9,10,11).
What are the key properties of 3-methyl-N-(1,3-thiazol-2-yl)butanamide?
3-methyl-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 184.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 4138253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).