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

C12H20N2O2S — CID 60664967

IUPAC4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylpropyl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NCC(C)C
InChIInChI=1S/C12H20N2O2S/c1-9(2)7-13-11(15)5-4-6-14-10(3)8-17-12(14)16/h8-9H,4-7H2,1-3H3,(H,13,15)
InChIKeyLARNPPYOORLLHS-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.77
Rot. Bonds6

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

4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylpropyl)butanamide (PubChem CID 60664967) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylpropyl)butanamide
PubChem CID60664967
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylpropyl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NCC(C)C
InChIInChI=1S/C12H20N2O2S/c1-9(2)7-13-11(15)5-4-6-14-10(3)8-17-12(14)16/h8-9H,4-7H2,1-3H3,(H,13,15)
InChIKeyLARNPPYOORLLHS-UHFFFAOYSA-N
XLogP1.77
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.77
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-(2-methylpropyl)butanamide?
The IUPAC name of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylpropyl)butanamide (CID 60664967) is 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylpropyl)butanamide?
The canonical SMILES for 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylpropyl)butanamide is Cc1csc(=O)n1CCCC(=O)NCC(C)C.
What is the InChIKey of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylpropyl)butanamide?
The InChIKey is LARNPPYOORLLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-9(2)7-13-11(15)5-4-6-14-10(3)8-17-12(14)16/h8-9H,4-7H2,1-3H3,(H,13,15).
What are the key properties of 4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylpropyl)butanamide?
4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylpropyl)butanamide has a molecular weight of 256.37 g/mol, XLogP of 1.77, 6 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-(2-methylpropyl)butanamide is sourced from PubChem (CID 60664967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).