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

C13H22N2O3S — CID 64556007

IUPACN-(1-hydroxy-2-methylbutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCCC(C)(CO)NC(=O)CCCn1c(C)csc1=O
InChIInChI=1S/C13H22N2O3S/c1-4-13(3,9-16)14-11(17)6-5-7-15-10(2)8-19-12(15)18/h8,16H,4-7,9H2,1-3H3,(H,14,17)
InChIKeyCLWAUZNHKHOOOB-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.28
Rot. Bonds7

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

N-(1-hydroxy-2-methylbutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 64556007) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID64556007
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCCC(C)(CO)NC(=O)CCCn1c(C)csc1=O
InChIInChI=1S/C13H22N2O3S/c1-4-13(3,9-16)14-11(17)6-5-7-15-10(2)8-19-12(15)18/h8,16H,4-7,9H2,1-3H3,(H,14,17)
InChIKeyCLWAUZNHKHOOOB-UHFFFAOYSA-N
XLogP1.28
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 64556007) is N-(1-hydroxy-2-methylbutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is CCC(C)(CO)NC(=O)CCCn1c(C)csc1=O.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is CLWAUZNHKHOOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-4-13(3,9-16)14-11(17)6-5-7-15-10(2)8-19-12(15)18/h8,16H,4-7,9H2,1-3H3,(H,14,17).
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N-(1-hydroxy-2-methylbutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide has a molecular weight of 286.40 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylbutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 64556007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).