N-[2-ethyl-2-(hydroxymethyl)butyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

C15H26N2O3S — CID 103843625

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCCC(CC)(CO)CNC(=O)CCCn1c(C)csc1=O
InChIInChI=1S/C15H26N2O3S/c1-4-15(5-2,11-18)10-16-13(19)7-6-8-17-12(3)9-21-14(17)20/h9,18H,4-8,10-11H2,1-3H3,(H,16,19)
InChIKeyFGGYANSXGFGPOC-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.91
Rot. Bonds9

About N-[2-ethyl-2-(hydroxymethyl)butyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 103843625) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID103843625
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCCC(CC)(CO)CNC(=O)CCCn1c(C)csc1=O
InChIInChI=1S/C15H26N2O3S/c1-4-15(5-2,11-18)10-16-13(19)7-6-8-17-12(3)9-21-14(17)20/h9,18H,4-8,10-11H2,1-3H3,(H,16,19)
InChIKeyFGGYANSXGFGPOC-UHFFFAOYSA-N
XLogP1.91
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 104857315
N-(3-hydroxypropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 43417732
N-(1-hydroxybutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 43418044
N-(1-hydroxypropan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 43418731
N-(1-hydroxy-2-methylpropan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 43500575
N-(1-hydroxy-4-methylpentan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 61246652
N-[3-(hydroxymethyl)pentan-3-yl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 62520675
N-(3-hydroxybutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 64458333
N-(1-hydroxy-2-methylbutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 64556007
N-(3-hydroxy-2-methylpropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 65034568
N-(2-ethyl-2-hydroxybutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 65114072
N-[(2S)-1-hydroxypropan-2-yl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 65806511

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 103843625) is N-[2-ethyl-2-(hydroxymethyl)butyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is CCC(CC)(CO)CNC(=O)CCCn1c(C)csc1=O.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is FGGYANSXGFGPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-4-15(5-2,11-18)10-16-13(19)7-6-8-17-12(3)9-21-14(17)20/h9,18H,4-8,10-11H2,1-3H3,(H,16,19).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide has a molecular weight of 314.45 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 103843625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).