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

C6H9N5O2S — CID 61342320

IUPACN-(2-azidoethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILES[N-]=[N+]=NCCNC(=O)C1CSC(=O)N1
InChIInChI=1S/C6H9N5O2S/c7-11-9-2-1-8-5(12)4-3-14-6(13)10-4/h4H,1-3H2,(H,8,12)(H,10,13)
InChIKeyUWKQVYSEZIFGHC-UHFFFAOYSA-N
MW215.24 g/mol
LogP0.24
Rot. Bonds4

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

N-(2-azidoethyl)-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 61342320) has the molecular formula C6H9N5O2S and a molecular weight of 215.24 g/mol. Its IUPAC name is N-(2-azidoethyl)-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-azidoethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID61342320
Molecular FormulaC6H9N5O2S
Molecular Weight215.24 g/mol
Exact Mass215.05
IUPAC NameN-(2-azidoethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILES[N-]=[N+]=NCCNC(=O)C1CSC(=O)N1
InChIInChI=1S/C6H9N5O2S/c7-11-9-2-1-8-5(12)4-3-14-6(13)10-4/h4H,1-3H2,(H,8,12)(H,10,13)
InChIKeyUWKQVYSEZIFGHC-UHFFFAOYSA-N
XLogP0.24
TPSA106.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 130977762
N-(3-aminobutyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 63253701
2-methyl-4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]butanoic acid
CID 80539296
N-(2-hydroxy-2-methylpropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 65109815
2-oxo-N-(2-piperidin-4-yloxyethyl)-1,3-thiazolidine-4-carboxamide
CID 55250991
N-(2-azidoethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79211747
4,4-dimethyl-6-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]hexanoic acid
CID 65284544
ethyl 2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetate
CID 60817082
2-oxo-N-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 62541103
N-[(1-hydroxycyclobutyl)methyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 115668887
2-oxo-N-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 61004650
N-(morpholin-3-ylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 103548516

Frequently Asked Questions

What is the IUPAC name of N-(2-azidoethyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-azidoethyl)-2-oxo-1,3-thiazolidine-4-carboxamide (CID 61342320) is N-(2-azidoethyl)-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-azidoethyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-azidoethyl)-2-oxo-1,3-thiazolidine-4-carboxamide is [N-]=[N+]=NCCNC(=O)C1CSC(=O)N1.
What is the InChIKey of N-(2-azidoethyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is UWKQVYSEZIFGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2S/c7-11-9-2-1-8-5(12)4-3-14-6(13)10-4/h4H,1-3H2,(H,8,12)(H,10,13).
What are the key properties of N-(2-azidoethyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
N-(2-azidoethyl)-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 215.24 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 61342320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).