N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide

C8H14N2O3S — CID 43500509

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(CO)NC(=O)C1CSC(=O)N1
InChIInChI=1S/C8H14N2O3S/c1-8(2,4-11)10-6(12)5-3-14-7(13)9-5/h5,11H,3-4H2,1-2H3,(H,9,13)(H,10,12)
InChIKeyYDOLDWNJLRAHQH-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.30
Rot. Bonds3

About N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 43500509) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID43500509
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(CO)NC(=O)C1CSC(=O)N1
InChIInChI=1S/C8H14N2O3S/c1-8(2,4-11)10-6(12)5-3-14-7(13)9-5/h5,11H,3-4H2,1-2H3,(H,9,13)(H,10,12)
InChIKeyYDOLDWNJLRAHQH-UHFFFAOYSA-N
XLogP-0.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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
2-amino-N-(2-hydroxyethyl)-3-(methylsulfanyl)propanamide
CID 154577108
(4R)-3-(3-amino-2-hydroxypropyl)-N-tert-butyl-1,3-thiazolidine-4-carboxamide
CID 10038310
N-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 18961028
N-(2-hydroxyethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 18961062
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

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide (CID 43500509) is N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide is CC(C)(CO)NC(=O)C1CSC(=O)N1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is YDOLDWNJLRAHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-8(2,4-11)10-6(12)5-3-14-7(13)9-5/h5,11H,3-4H2,1-2H3,(H,9,13)(H,10,12).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 218.28 g/mol, XLogP of -0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43500509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).