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

C14H12N6O2S — CID 56678633

IUPACN-hydroxy-2-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]pyrimidine-5-carboxamide
SMILESCc1ccc(-c2nnc(Nc3ncc(C(=O)NO)cn3)s2)cc1
InChIInChI=1S/C14H12N6O2S/c1-8-2-4-9(5-3-8)12-18-19-14(23-12)17-13-15-6-10(7-16-13)11(21)20-22/h2-7,22H,1H3,(H,20,21)(H,15,16,17,19)
InChIKeyZVDKZXQXTLMMGF-UHFFFAOYSA-N
MW328.36 g/mol
LogP2.17
Rot. Bonds4

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

N-hydroxy-2-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]pyrimidine-5-carboxamide (PubChem CID 56678633) has the molecular formula C14H12N6O2S and a molecular weight of 328.36 g/mol. Its IUPAC name is N-hydroxy-2-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]pyrimidine-5-carboxamide
PubChem CID56678633
Molecular FormulaC14H12N6O2S
Molecular Weight328.36 g/mol
Exact Mass328.07
IUPAC NameN-hydroxy-2-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]pyrimidine-5-carboxamide
SMILESCc1ccc(-c2nnc(Nc3ncc(C(=O)NO)cn3)s2)cc1
InChIInChI=1S/C14H12N6O2S/c1-8-2-4-9(5-3-8)12-18-19-14(23-12)17-13-15-6-10(7-16-13)11(21)20-22/h2-7,22H,1H3,(H,20,21)(H,15,16,17,19)
InChIKeyZVDKZXQXTLMMGF-UHFFFAOYSA-N
XLogP2.17
TPSA112.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 52.17
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-(4-methylphenyl)-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-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]pyrimidine-5-carboxamide (CID 56678633) is N-hydroxy-2-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]pyrimidine-5-carboxamide is Cc1ccc(-c2nnc(Nc3ncc(C(=O)NO)cn3)s2)cc1.
What is the InChIKey of N-hydroxy-2-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]pyrimidine-5-carboxamide?
The InChIKey is ZVDKZXQXTLMMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O2S/c1-8-2-4-9(5-3-8)12-18-19-14(23-12)17-13-15-6-10(7-16-13)11(21)20-22/h2-7,22H,1H3,(H,20,21)(H,15,16,17,19).
What are the key properties of N-hydroxy-2-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]pyrimidine-5-carboxamide?
N-hydroxy-2-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]pyrimidine-5-carboxamide has a molecular weight of 328.36 g/mol, XLogP of 2.17, 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-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 56678633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).