4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide

C11H18N2O2S — CID 60664933

IUPAC4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide
SMILESCc1csc(=O)n1CCCC(=O)NC(C)C
InChIInChI=1S/C11H18N2O2S/c1-8(2)12-10(14)5-4-6-13-9(3)7-16-11(13)15/h7-8H,4-6H2,1-3H3,(H,12,14)
InChIKeyJVFZSUQCSQMASL-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.52
Rot. Bonds5

About 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide

4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide (PubChem CID 60664933) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide
PubChem CID60664933
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide
SMILESCc1csc(=O)n1CCCC(=O)NC(C)C
InChIInChI=1S/C11H18N2O2S/c1-8(2)12-10(14)5-4-6-13-9(3)7-16-11(13)15/h7-8H,4-6H2,1-3H3,(H,12,14)
InChIKeyJVFZSUQCSQMASL-UHFFFAOYSA-N
XLogP1.52
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.52
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)-N-propan-2-ylbutanamide?
The IUPAC name of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide (CID 60664933) is 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide?
The canonical SMILES for 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide is Cc1csc(=O)n1CCCC(=O)NC(C)C.
What is the InChIKey of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide?
The InChIKey is JVFZSUQCSQMASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-8(2)12-10(14)5-4-6-13-9(3)7-16-11(13)15/h7-8H,4-6H2,1-3H3,(H,12,14).
What are the key properties of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide?
4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide has a molecular weight of 242.34 g/mol, XLogP of 1.52, 5 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)-N-propan-2-ylbutanamide is sourced from PubChem (CID 60664933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).