N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C11H20N2O3S — CID 61245903

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCC(C)CC(CO)NC(=O)CN1CSCC1=O
InChIInChI=1S/C11H20N2O3S/c1-8(2)3-9(5-14)12-10(15)4-13-7-17-6-11(13)16/h8-9,14H,3-7H2,1-2H3,(H,12,15)
InChIKeyQPMWAMOQMADNKH-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.04
Rot. Bonds6

About N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 61245903) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID61245903
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCC(C)CC(CO)NC(=O)CN1CSCC1=O
InChIInChI=1S/C11H20N2O3S/c1-8(2)3-9(5-14)12-10(15)4-13-7-17-6-11(13)16/h8-9,14H,3-7H2,1-2H3,(H,12,15)
InChIKeyQPMWAMOQMADNKH-UHFFFAOYSA-N
XLogP0.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

H-Val-Ala-Met-Pro-ol
CID 176468812
(2S)-2-acetamido-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-4-methylpentanamide
CID 18659588
ThzLeu
CID 39259773
1-(2-acetamido-3-methylbutyl)-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide
CID 123519576
2-[2-[[1-(Hydroxymethyl)cyclopentyl]amino]ethylamino]-1-(1,3-thiazolidin-3-yl)ethanone
CID 9863687
4-Methyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid
CID 43353240
N-(1-hydroxybutan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 43418047
N-(1-hydroxypropan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 43418994
N-(1-hydroxybutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 43500028
N-hexyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide
CID 54873117
N-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-thiazolidine-4-carboxamide
CID 54994379
N-butyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide
CID 60945985

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 61245903) is N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is CC(C)CC(CO)NC(=O)CN1CSCC1=O.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is QPMWAMOQMADNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-8(2)3-9(5-14)12-10(15)4-13-7-17-6-11(13)16/h8-9,14H,3-7H2,1-2H3,(H,12,15).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 260.36 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 61245903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).