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

C13H22N2O3S — CID 66107121

IUPACN-(4-hydroxy-2-methylbutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NCC(C)CCO
InChIInChI=1S/C13H22N2O3S/c1-10(5-7-16)8-14-12(17)4-3-6-15-11(2)9-19-13(15)18/h9-10,16H,3-8H2,1-2H3,(H,14,17)
InChIKeyFRKAUOWIAWOBGU-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.13
Rot. Bonds8

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

N-(4-hydroxy-2-methylbutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 66107121) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID66107121
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-(4-hydroxy-2-methylbutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NCC(C)CCO
InChIInChI=1S/C13H22N2O3S/c1-10(5-7-16)8-14-12(17)4-3-6-15-11(2)9-19-13(15)18/h9-10,16H,3-8H2,1-2H3,(H,14,17)
InChIKeyFRKAUOWIAWOBGU-UHFFFAOYSA-N
XLogP1.13
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-(4-hydroxy-2-methylbutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 66107121) is N-(4-hydroxy-2-methylbutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is Cc1csc(=O)n1CCCC(=O)NCC(C)CCO.
What is the InChIKey of N-(4-hydroxy-2-methylbutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is FRKAUOWIAWOBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-10(5-7-16)8-14-12(17)4-3-6-15-11(2)9-19-13(15)18/h9-10,16H,3-8H2,1-2H3,(H,14,17).
What are the key properties of N-(4-hydroxy-2-methylbutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N-(4-hydroxy-2-methylbutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide has a molecular weight of 286.40 g/mol, XLogP of 1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 66107121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).