N-hydroxy-2H-1,4-thiazine-3-carboxamide

C5H6N2O2S — CID 154511225

IUPACN-hydroxy-2H-1,4-thiazine-3-carboxamide
SMILESO=C(NO)C1=NC=CSC1
InChIInChI=1S/C5H6N2O2S/c8-5(7-9)4-3-10-2-1-6-4/h1-2,9H,3H2,(H,7,8)
InChIKeyDCAQXSYXJBXPIH-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.15
Rot. Bonds1

About N-hydroxy-2H-1,4-thiazine-3-carboxamide

N-hydroxy-2H-1,4-thiazine-3-carboxamide (PubChem CID 154511225) has the molecular formula C5H6N2O2S and a molecular weight of 158.18 g/mol. Its IUPAC name is N-hydroxy-2H-1,4-thiazine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2H-1,4-thiazine-3-carboxamide
PubChem CID154511225
Molecular FormulaC5H6N2O2S
Molecular Weight158.18 g/mol
Exact Mass158.01
IUPAC NameN-hydroxy-2H-1,4-thiazine-3-carboxamide
SMILESO=C(NO)C1=NC=CSC1
InChIInChI=1S/C5H6N2O2S/c8-5(7-9)4-3-10-2-1-6-4/h1-2,9H,3H2,(H,7,8)
InChIKeyDCAQXSYXJBXPIH-UHFFFAOYSA-N
XLogP0.15
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.15
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'}

Analyze N-hydroxy-2H-1,4-thiazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2H-1,4-thiazine-3-carboxamide?
The IUPAC name of N-hydroxy-2H-1,4-thiazine-3-carboxamide (CID 154511225) is N-hydroxy-2H-1,4-thiazine-3-carboxamide.
What is the SMILES notation for N-hydroxy-2H-1,4-thiazine-3-carboxamide?
The canonical SMILES for N-hydroxy-2H-1,4-thiazine-3-carboxamide is O=C(NO)C1=NC=CSC1.
What is the InChIKey of N-hydroxy-2H-1,4-thiazine-3-carboxamide?
The InChIKey is DCAQXSYXJBXPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S/c8-5(7-9)4-3-10-2-1-6-4/h1-2,9H,3H2,(H,7,8).
What are the key properties of N-hydroxy-2H-1,4-thiazine-3-carboxamide?
N-hydroxy-2H-1,4-thiazine-3-carboxamide has a molecular weight of 158.18 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2H-1,4-thiazine-3-carboxamide is sourced from PubChem (CID 154511225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).