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

C8H10N4O2S — CID 61004650

IUPAC2-oxo-N-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)NCc2cn[nH]c2)CS1
InChIInChI=1S/C8H10N4O2S/c13-7(6-4-15-8(14)12-6)9-1-5-2-10-11-3-5/h2-3,6H,1,4H2,(H,9,13)(H,10,11)(H,12,14)
InChIKeyVMECZZCFYYDGNS-UHFFFAOYSA-N
MW226.26 g/mol
LogP-0.15
Rot. Bonds3

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

2-oxo-N-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 61004650) has the molecular formula C8H10N4O2S and a molecular weight of 226.26 g/mol. Its IUPAC name is 2-oxo-N-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID61004650
Molecular FormulaC8H10N4O2S
Molecular Weight226.26 g/mol
Exact Mass226.05
IUPAC Name2-oxo-N-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)NCc2cn[nH]c2)CS1
InChIInChI=1S/C8H10N4O2S/c13-7(6-4-15-8(14)12-6)9-1-5-2-10-11-3-5/h2-3,6H,1,4H2,(H,9,13)(H,10,11)(H,12,14)
InChIKeyVMECZZCFYYDGNS-UHFFFAOYSA-N
XLogP-0.15
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 5-0.15
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

5-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81100617
N-(1H-pyrazol-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471590
N-(cyclopropylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 130977762
N-(1H-pyrazol-4-ylmethyl)piperidine-4-carboxamide
CID 61000741
N-(1H-pyrazol-4-ylmethyl)thiane-2-carboxamide
CID 80595279
2-methyl-N-(1H-pyrazol-4-ylmethyl)cyclopropane-1-carboxamide
CID 60736218
4-ethyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide
CID 114428575
2-amino-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 64822050
N-(2-hydroxy-2-methylpropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 65109815
2-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 59802642
N-(1H-pyrazol-4-ylmethyl)piperidine-3-carboxamide
CID 61000515
2-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324081

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 2-oxo-N-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide (CID 61004650) is 2-oxo-N-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 2-oxo-N-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 2-oxo-N-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide is O=C1NC(C(=O)NCc2cn[nH]c2)CS1.
What is the InChIKey of 2-oxo-N-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is VMECZZCFYYDGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S/c13-7(6-4-15-8(14)12-6)9-1-5-2-10-11-3-5/h2-3,6H,1,4H2,(H,9,13)(H,10,11)(H,12,14).
What are the key properties of 2-oxo-N-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide?
2-oxo-N-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 226.26 g/mol, XLogP of -0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 61004650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).