N-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

C15H26N2O3S — CID 103725621

IUPACN-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCCCC(CCO)CNC(=O)CCCn1c(C)csc1=O
InChIInChI=1S/C15H26N2O3S/c1-3-5-13(7-9-18)10-16-14(19)6-4-8-17-12(2)11-21-15(17)20/h11,13,18H,3-10H2,1-2H3,(H,16,19)
InChIKeyGTKFINWUYPSURT-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.91
Rot. Bonds10

About N-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

N-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 103725621) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID103725621
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCCCC(CCO)CNC(=O)CCCn1c(C)csc1=O
InChIInChI=1S/C15H26N2O3S/c1-3-5-13(7-9-18)10-16-14(19)6-4-8-17-12(2)11-21-15(17)20/h11,13,18H,3-10H2,1-2H3,(H,16,19)
InChIKeyGTKFINWUYPSURT-UHFFFAOYSA-N
XLogP1.91
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 103725621) is N-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is CCCC(CCO)CNC(=O)CCCn1c(C)csc1=O.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is GTKFINWUYPSURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-3-5-13(7-9-18)10-16-14(19)6-4-8-17-12(2)11-21-15(17)20/h11,13,18H,3-10H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide has a molecular weight of 314.45 g/mol, XLogP of 1.91, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 103725621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).