N-(2-hydroxy-3-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C11H20N2O3S — CID 113268449

IUPACN-(2-hydroxy-3-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCC(C)C(O)CNC(=O)CCN1CCSC1=O
InChIInChI=1S/C11H20N2O3S/c1-8(2)9(14)7-12-10(15)3-4-13-5-6-17-11(13)16/h8-9,14H,3-7H2,1-2H3,(H,12,15)
InChIKeyJJBABUIAKSCOPU-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.68
Rot. Bonds6

About N-(2-hydroxy-3-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-(2-hydroxy-3-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 113268449) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(2-hydroxy-3-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID113268449
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-(2-hydroxy-3-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCC(C)C(O)CNC(=O)CCN1CCSC1=O
InChIInChI=1S/C11H20N2O3S/c1-8(2)9(14)7-12-10(15)3-4-13-5-6-17-11(13)16/h8-9,14H,3-7H2,1-2H3,(H,12,15)
InChIKeyJJBABUIAKSCOPU-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[4-(dimethylamino)-3-hydroxybutan-2-yl]-2-methyl-3-methylsulfanylpropanamide
CID 59886297
actinium;3-[[(2S,3R)-4-(dimethylamino)-3-hydroxybutan-2-yl]amino]-2-methyl-3-oxopropane-1-thiolate
CID 59886326
N-[(2S,3R)-4-(dimethylamino)-3-hydroxybutan-2-yl]-2-methyl-3-[methyl(methylidene)-lambda4-sulfanyl]propanamide
CID 59928262
(2S)-N-[(2S,3R)-4-(dimethylamino)-3-hydroxybutan-2-yl]-2-methyl-3-methylsulfanylpropanamide
CID 59936555
(2R)-N-[(2S)-2-hydroxypropyl]-2-[(3-hydroxypropylamino)methyl]-3-methylsulfanylpropanamide
CID 134477394
Actinium;3-[[4-(dimethylamino)-3-hydroxybutan-2-yl]amino]-2-methyl-3-oxopropane-1-thiolate
CID 18731928
N-[4-(dimethylamino)-3-hydroxybutan-2-yl]-2-methyl-3-methylsulfanylpropanamide
CID 18731985
3-[2-Hydroxy-3-(propan-2-ylamino)propyl]-1,3-thiazolidine-2,4-dione
CID 43165948
3-[2-Hydroxy-3-(propylamino)propyl]-1,3-thiazolidine-2,4-dione
CID 43165949
3-[3-(Ethylamino)-2-hydroxypropyl]-1,3-thiazolidine-2,4-dione
CID 43165950
N-(2-hydroxyethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 43393138
N-(1-hydroxybutan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 43393224

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-(2-hydroxy-3-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 113268449) is N-(2-hydroxy-3-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-(2-hydroxy-3-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-(2-hydroxy-3-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is CC(C)C(O)CNC(=O)CCN1CCSC1=O.
What is the InChIKey of N-(2-hydroxy-3-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is JJBABUIAKSCOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-8(2)9(14)7-12-10(15)3-4-13-5-6-17-11(13)16/h8-9,14H,3-7H2,1-2H3,(H,12,15).
What are the key properties of N-(2-hydroxy-3-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-(2-hydroxy-3-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 260.36 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 113268449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).