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

C10H18N2O3S — CID 43393224

IUPACN-(1-hydroxybutan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCCC(CO)NC(=O)CCN1CCSC1=O
InChIInChI=1S/C10H18N2O3S/c1-2-8(7-13)11-9(14)3-4-12-5-6-16-10(12)15/h8,13H,2-7H2,1H3,(H,11,14)
InChIKeyMPUVPLGALXJDNG-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.43
Rot. Bonds6

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

N-(1-hydroxybutan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 43393224) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID43393224
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC NameN-(1-hydroxybutan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCCC(CO)NC(=O)CCN1CCSC1=O
InChIInChI=1S/C10H18N2O3S/c1-2-8(7-13)11-9(14)3-4-12-5-6-16-10(12)15/h8,13H,2-7H2,1H3,(H,11,14)
InChIKeyMPUVPLGALXJDNG-UHFFFAOYSA-N
XLogP0.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 43393224) is N-(1-hydroxybutan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is CCC(CO)NC(=O)CCN1CCSC1=O.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is MPUVPLGALXJDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-2-8(7-13)11-9(14)3-4-12-5-6-16-10(12)15/h8,13H,2-7H2,1H3,(H,11,14).
What are the key properties of N-(1-hydroxybutan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-(1-hydroxybutan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 246.33 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 43393224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).