2-oxo-N-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide

C9H15N3O2S — CID 62541103

IUPAC2-oxo-N-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)NCC2CCCN2)CS1
InChIInChI=1S/C9H15N3O2S/c13-8(7-5-15-9(14)12-7)11-4-6-2-1-3-10-6/h6-7,10H,1-5H2,(H,11,13)(H,12,14)
InChIKeyIZZISAHJINKFRW-UHFFFAOYSA-N
MW229.30 g/mol
LogP-0.32
Rot. Bonds3

About 2-oxo-N-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide

2-oxo-N-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 62541103) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-oxo-N-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID62541103
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name2-oxo-N-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)NCC2CCCN2)CS1
InChIInChI=1S/C9H15N3O2S/c13-8(7-5-15-9(14)12-7)11-4-6-2-1-3-10-6/h6-7,10H,1-5H2,(H,11,13)(H,12,14)
InChIKeyIZZISAHJINKFRW-UHFFFAOYSA-N
XLogP-0.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 5-0.32
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

N-(morpholin-3-ylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 103548516
N-(cyclopropylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 130977762
N-[(1-hydroxycyclobutyl)methyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 115668887
(2R)-5-oxo-N-(piperidin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 103805969
N-(2-hydroxy-2-methylpropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 65109815
6-[(2-fluorophenyl)methyl]-5-oxo-N-(pyrrolidin-2-ylmethyl)thiomorpholine-3-carboxamide;hydrochloride
CID 119509884
1-(pyrrolidine-1-carbonyl)-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide
CID 119512673
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
2-oxo-N-(2-piperidin-4-yloxyethyl)-1,3-thiazolidine-4-carboxamide
CID 55250991
N-(2-azidoethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 61342320
N-(piperidin-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81479063
[(2S)-piperidin-2-yl]methylcarbamic acid
CID 67090489

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 2-oxo-N-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide (CID 62541103) is 2-oxo-N-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 2-oxo-N-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 2-oxo-N-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide is O=C1NC(C(=O)NCC2CCCN2)CS1.
What is the InChIKey of 2-oxo-N-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is IZZISAHJINKFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c13-8(7-5-15-9(14)12-7)11-4-6-2-1-3-10-6/h6-7,10H,1-5H2,(H,11,13)(H,12,14).
What are the key properties of 2-oxo-N-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
2-oxo-N-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 229.30 g/mol, XLogP of -0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 62541103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).