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

C8H14N2O3S — CID 43418994

IUPACN-(1-hydroxypropan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCC(CO)NC(=O)CN1CSCC1=O
InChIInChI=1S/C8H14N2O3S/c1-6(3-11)9-7(12)2-10-5-14-4-8(10)13/h6,11H,2-5H2,1H3,(H,9,12)
InChIKeyDINFRGJQDIROGL-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.98
Rot. Bonds4

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

N-(1-hydroxypropan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 43418994) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID43418994
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC NameN-(1-hydroxypropan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCC(CO)NC(=O)CN1CSCC1=O
InChIInChI=1S/C8H14N2O3S/c1-6(3-11)9-7(12)2-10-5-14-4-8(10)13/h6,11H,2-5H2,1H3,(H,9,12)
InChIKeyDINFRGJQDIROGL-UHFFFAOYSA-N
XLogP-0.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(4R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-thiazolidine-4-carbonyl]amino]acetic acid
CID 162414677
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 60952485
N-(2-hydroxyethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 103915375
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide
CID 107479321
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 107483090
N-[2-[di(propan-2-yl)amino]ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 13853983
N-(2-hydroxyethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 18961062
1-[2-(Hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone
CID 20699051
1-[4-(Hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone
CID 20699060
1-[4-(Hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanone
CID 20699062
(4R)-N-[(1S)-1-Methyl-2-hydroxyethyl]-2-oxothiazolidin-4-yl-carboxamide
CID 21309140
(4R)-N-(2-Hydroxyethyl)-2-oxothiazolidine-4-carboxamide
CID 53943884

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 43418994) is N-(1-hydroxypropan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is CC(CO)NC(=O)CN1CSCC1=O.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is DINFRGJQDIROGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-6(3-11)9-7(12)2-10-5-14-4-8(10)13/h6,11H,2-5H2,1H3,(H,9,12).
What are the key properties of N-(1-hydroxypropan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-(1-hydroxypropan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 218.28 g/mol, XLogP of -0.98, 4 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)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 43418994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).