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

C14H12N6O3S — CID 56661557

IUPACN-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]pyrimidine-5-carboxamide
SMILESCOc1ccc(-c2nnc(Nc3ncc(C(=O)NO)cn3)s2)cc1
InChIInChI=1S/C14H12N6O3S/c1-23-10-4-2-8(3-5-10)12-18-19-14(24-12)17-13-15-6-9(7-16-13)11(21)20-22/h2-7,22H,1H3,(H,20,21)(H,15,16,17,19)
InChIKeyISJJBZJDLBJENE-UHFFFAOYSA-N
MW344.36 g/mol
LogP1.87
Rot. Bonds5

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

N-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]pyrimidine-5-carboxamide (PubChem CID 56661557) has the molecular formula C14H12N6O3S and a molecular weight of 344.36 g/mol. Its IUPAC name is N-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]pyrimidine-5-carboxamide
PubChem CID56661557
Molecular FormulaC14H12N6O3S
Molecular Weight344.36 g/mol
Exact Mass344.07
IUPAC NameN-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]pyrimidine-5-carboxamide
SMILESCOc1ccc(-c2nnc(Nc3ncc(C(=O)NO)cn3)s2)cc1
InChIInChI=1S/C14H12N6O3S/c1-23-10-4-2-8(3-5-10)12-18-19-14(24-12)17-13-15-6-9(7-16-13)11(21)20-22/h2-7,22H,1H3,(H,20,21)(H,15,16,17,19)
InChIKeyISJJBZJDLBJENE-UHFFFAOYSA-N
XLogP1.87
TPSA122.15 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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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Related Compounds

2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 4769785
4-tert-butyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1042304
N-[5-[4-(4-fluorophenoxy)phenyl]-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 139582491
2-[(4-methoxybenzoyl)amino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 45021560
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 1246159
N-ethyl-5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 857446
2-(2-methoxyphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1398449
5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 692882
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813938
N-[5-(3-fluoro-4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 73254179
N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide
CID 87266024
2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
CID 82424257

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]pyrimidine-5-carboxamide (CID 56661557) is N-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]pyrimidine-5-carboxamide is COc1ccc(-c2nnc(Nc3ncc(C(=O)NO)cn3)s2)cc1.
What is the InChIKey of N-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]pyrimidine-5-carboxamide?
The InChIKey is ISJJBZJDLBJENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O3S/c1-23-10-4-2-8(3-5-10)12-18-19-14(24-12)17-13-15-6-9(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-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]pyrimidine-5-carboxamide?
N-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]pyrimidine-5-carboxamide has a molecular weight of 344.36 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 56661557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).