N-hydroxy-1,3-thiazole-5-carboxamide

C4H4N2O2S — CID 87525999

IUPACN-hydroxy-1,3-thiazole-5-carboxamide
SMILESO=C(NO)c1cncs1
InChIInChI=1S/C4H4N2O2S/c7-4(6-8)3-1-5-2-9-3/h1-2,8H,(H,6,7)
InChIKeyDJSTVAGEAPNZAE-UHFFFAOYSA-N
MW144.16 g/mol
LogP0.26
Rot. Bonds1

About N-hydroxy-1,3-thiazole-5-carboxamide

N-hydroxy-1,3-thiazole-5-carboxamide (PubChem CID 87525999) has the molecular formula C4H4N2O2S and a molecular weight of 144.16 g/mol. Its IUPAC name is N-hydroxy-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1,3-thiazole-5-carboxamide
PubChem CID87525999
Molecular FormulaC4H4N2O2S
Molecular Weight144.16 g/mol
Exact Mass144.00
IUPAC NameN-hydroxy-1,3-thiazole-5-carboxamide
SMILESO=C(NO)c1cncs1
InChIInChI=1S/C4H4N2O2S/c7-4(6-8)3-1-5-2-9-3/h1-2,8H,(H,6,7)
InChIKeyDJSTVAGEAPNZAE-UHFFFAOYSA-N
XLogP0.26
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1,3-thiazole-5-carboxamide?
The IUPAC name of N-hydroxy-1,3-thiazole-5-carboxamide (CID 87525999) is N-hydroxy-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-hydroxy-1,3-thiazole-5-carboxamide is O=C(NO)c1cncs1.
What is the InChIKey of N-hydroxy-1,3-thiazole-5-carboxamide?
The InChIKey is DJSTVAGEAPNZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2S/c7-4(6-8)3-1-5-2-9-3/h1-2,8H,(H,6,7).
What are the key properties of N-hydroxy-1,3-thiazole-5-carboxamide?
N-hydroxy-1,3-thiazole-5-carboxamide has a molecular weight of 144.16 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 87525999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).