N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-oxo-1,3-thiazolidine-4-carboxamide

C7H9N5O3S — CID 83101111

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESCOc1n[nH]c(NC(=O)C2CSC(=O)N2)n1
InChIInChI=1S/C7H9N5O3S/c1-15-6-10-5(11-12-6)9-4(13)3-2-16-7(14)8-3/h3H,2H2,1H3,(H,8,14)(H2,9,10,11,12,13)
InChIKeyAQZSDESDDNUOBL-UHFFFAOYSA-N
MW243.25 g/mol
LogP-0.42
Rot. Bonds3

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-oxo-1,3-thiazolidine-4-carboxamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 83101111) has the molecular formula C7H9N5O3S and a molecular weight of 243.25 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID83101111
Molecular FormulaC7H9N5O3S
Molecular Weight243.25 g/mol
Exact Mass243.04
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESCOc1n[nH]c(NC(=O)C2CSC(=O)N2)n1
InChIInChI=1S/C7H9N5O3S/c1-15-6-10-5(11-12-6)9-4(13)3-2-16-7(14)8-3/h3H,2H2,1H3,(H,8,14)(H2,9,10,11,12,13)
InChIKeyAQZSDESDDNUOBL-UHFFFAOYSA-N
XLogP-0.42
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-oxo-1,3-thiazolidine-4-carboxamide (CID 83101111) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-oxo-1,3-thiazolidine-4-carboxamide is COc1n[nH]c(NC(=O)C2CSC(=O)N2)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is AQZSDESDDNUOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O3S/c1-15-6-10-5(11-12-6)9-4(13)3-2-16-7(14)8-3/h3H,2H2,1H3,(H,8,14)(H2,9,10,11,12,13).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-oxo-1,3-thiazolidine-4-carboxamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 243.25 g/mol, XLogP of -0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 83101111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).