4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

C8H12N2O2S — CID 43091146

IUPAC4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(N)=O
InChIInChI=1S/C8H12N2O2S/c1-6-5-13-8(12)10(6)4-2-3-7(9)11/h5H,2-4H2,1H3,(H2,9,11)
InChIKeyTYNISVKWZLAMDX-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.48
Rot. Bonds4

About 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 43091146) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound Name4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID43091146
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(N)=O
InChIInChI=1S/C8H12N2O2S/c1-6-5-13-8(12)10(6)4-2-3-7(9)11/h5H,2-4H2,1H3,(H2,9,11)
InChIKeyTYNISVKWZLAMDX-UHFFFAOYSA-N
XLogP0.48
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 43091146) is 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is Cc1csc(=O)n1CCCC(N)=O.
What is the InChIKey of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is TYNISVKWZLAMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-6-5-13-8(12)10(6)4-2-3-7(9)11/h5H,2-4H2,1H3,(H2,9,11).
What are the key properties of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide has a molecular weight of 200.26 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 43091146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).