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

C10H16N2O2S — CID 60664981

IUPACN-ethyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCCNC(=O)CCCn1c(C)csc1=O
InChIInChI=1S/C10H16N2O2S/c1-3-11-9(13)5-4-6-12-8(2)7-15-10(12)14/h7H,3-6H2,1-2H3,(H,11,13)
InChIKeyMCKOBFGOQQMNGG-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.13
Rot. Bonds5

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

N-ethyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 60664981) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-ethyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-ethyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID60664981
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-ethyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCCNC(=O)CCCn1c(C)csc1=O
InChIInChI=1S/C10H16N2O2S/c1-3-11-9(13)5-4-6-12-8(2)7-15-10(12)14/h7H,3-6H2,1-2H3,(H,11,13)
InChIKeyMCKOBFGOQQMNGG-UHFFFAOYSA-N
XLogP1.13
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-ethyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 60664981) is N-ethyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-ethyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-ethyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is CCNC(=O)CCCn1c(C)csc1=O.
What is the InChIKey of N-ethyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is MCKOBFGOQQMNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-3-11-9(13)5-4-6-12-8(2)7-15-10(12)14/h7H,3-6H2,1-2H3,(H,11,13).
What are the key properties of N-ethyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N-ethyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide has a molecular weight of 228.32 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 60664981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).