N-hydroxy-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pyrimidine-5-carboxamide

C13H10N6O2S — CID 56681959

IUPACN-hydroxy-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(Nc2nnc(-c3ccccc3)s2)nc1
InChIInChI=1S/C13H10N6O2S/c20-10(19-21)9-6-14-12(15-7-9)16-13-18-17-11(22-13)8-4-2-1-3-5-8/h1-7,21H,(H,19,20)(H,14,15,16,18)
InChIKeyVBOGMIJDZWNOHM-UHFFFAOYSA-N
MW314.33 g/mol
LogP1.86
Rot. Bonds4

About N-hydroxy-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pyrimidine-5-carboxamide

N-hydroxy-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pyrimidine-5-carboxamide (PubChem CID 56681959) has the molecular formula C13H10N6O2S and a molecular weight of 314.33 g/mol. Its IUPAC name is N-hydroxy-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pyrimidine-5-carboxamide
PubChem CID56681959
Molecular FormulaC13H10N6O2S
Molecular Weight314.33 g/mol
Exact Mass314.06
IUPAC NameN-hydroxy-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(Nc2nnc(-c3ccccc3)s2)nc1
InChIInChI=1S/C13H10N6O2S/c20-10(19-21)9-6-14-12(15-7-9)16-13-18-17-11(22-13)8-4-2-1-3-5-8/h1-7,21H,(H,19,20)(H,14,15,16,18)
InChIKeyVBOGMIJDZWNOHM-UHFFFAOYSA-N
XLogP1.86
TPSA112.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-hydroxy-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pyrimidine-5-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-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pyrimidine-5-carboxamide (CID 56681959) is N-hydroxy-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pyrimidine-5-carboxamide is O=C(NO)c1cnc(Nc2nnc(-c3ccccc3)s2)nc1.
What is the InChIKey of N-hydroxy-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is VBOGMIJDZWNOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6O2S/c20-10(19-21)9-6-14-12(15-7-9)16-13-18-17-11(22-13)8-4-2-1-3-5-8/h1-7,21H,(H,19,20)(H,14,15,16,18).
What are the key properties of N-hydroxy-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pyrimidine-5-carboxamide?
N-hydroxy-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 314.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 56681959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).