N-butan-2-yl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

C10H16N2O2S — CID 47114490

IUPACN-butan-2-yl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCCC(C)NC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C10H16N2O2S/c1-4-7(2)11-9(13)5-12-8(3)6-15-10(12)14/h6-7H,4-5H2,1-3H3,(H,11,13)
InChIKeyRSCYQZJKMCOTDA-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.13
Rot. Bonds4

About N-butan-2-yl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

N-butan-2-yl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 47114490) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID47114490
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-butan-2-yl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCCC(C)NC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C10H16N2O2S/c1-4-7(2)11-9(13)5-12-8(3)6-15-10(12)14/h6-7H,4-5H2,1-3H3,(H,11,13)
InChIKeyRSCYQZJKMCOTDA-UHFFFAOYSA-N
XLogP1.13
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-butan-2-yl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 47114490) is N-butan-2-yl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is CCC(C)NC(=O)Cn1c(C)csc1=O.
What is the InChIKey of N-butan-2-yl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is RSCYQZJKMCOTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-4-7(2)11-9(13)5-12-8(3)6-15-10(12)14/h6-7H,4-5H2,1-3H3,(H,11,13).
What are the key properties of N-butan-2-yl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-butan-2-yl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 228.32 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 47114490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).