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

C9H16N2O3S — CID 43418685

IUPACN-(1-hydroxypropan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCC(CO)NC(=O)CCN1CCSC1=O
InChIInChI=1S/C9H16N2O3S/c1-7(6-12)10-8(13)2-3-11-4-5-15-9(11)14/h7,12H,2-6H2,1H3,(H,10,13)
InChIKeyBNZCJOAEVMQKKE-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.04
Rot. Bonds5

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

N-(1-hydroxypropan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 43418685) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID43418685
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC NameN-(1-hydroxypropan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCC(CO)NC(=O)CCN1CCSC1=O
InChIInChI=1S/C9H16N2O3S/c1-7(6-12)10-8(13)2-3-11-4-5-15-9(11)14/h7,12H,2-6H2,1H3,(H,10,13)
InChIKeyBNZCJOAEVMQKKE-UHFFFAOYSA-N
XLogP0.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.04
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-hydroxypropan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 43418685) is N-(1-hydroxypropan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is CC(CO)NC(=O)CCN1CCSC1=O.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is BNZCJOAEVMQKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-7(6-12)10-8(13)2-3-11-4-5-15-9(11)14/h7,12H,2-6H2,1H3,(H,10,13).
What are the key properties of N-(1-hydroxypropan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-(1-hydroxypropan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 232.30 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 43418685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).