2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide

C13H9ClN6O2S — CID 56658048

IUPAC2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(Nc2nnc(-c3ccccc3Cl)s2)nc1
InChIInChI=1S/C13H9ClN6O2S/c14-9-4-2-1-3-8(9)11-18-19-13(23-11)17-12-15-5-7(6-16-12)10(21)20-22/h1-6,22H,(H,20,21)(H,15,16,17,19)
InChIKeyWREGAHLAAIPNDM-UHFFFAOYSA-N
MW348.78 g/mol
LogP2.51
Rot. Bonds4

About 2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide

2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 56658048) has the molecular formula C13H9ClN6O2S and a molecular weight of 348.78 g/mol. Its IUPAC name is 2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
PubChem CID56658048
Molecular FormulaC13H9ClN6O2S
Molecular Weight348.78 g/mol
Exact Mass348.02
IUPAC Name2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(Nc2nnc(-c3ccccc3Cl)s2)nc1
InChIInChI=1S/C13H9ClN6O2S/c14-9-4-2-1-3-8(9)11-18-19-13(23-11)17-12-15-5-7(6-16-12)10(21)20-22/h1-6,22H,(H,20,21)(H,15,16,17,19)
InChIKeyWREGAHLAAIPNDM-UHFFFAOYSA-N
XLogP2.51
TPSA112.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.78
LogP ≤ 52.51
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'}

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Related Compounds

5,6-dichloro-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 60576166
N-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]pyrimidine-5-carboxamide
CID 56661557
2-(2,3-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide
CID 74763642
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 122134190
2-[(2-chlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 57380747
2,2,2-tribromo-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 19256598
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
CID 1398313
5-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 13169826
2-(3,4-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide
CID 57380055
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,2,2-trifluoroacetamide
CID 19256591
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 176585431
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxybenzamide
CID 1409785

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide (CID 56658048) is 2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(Nc2nnc(-c3ccccc3Cl)s2)nc1.
What is the InChIKey of 2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is WREGAHLAAIPNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN6O2S/c14-9-4-2-1-3-8(9)11-18-19-13(23-11)17-12-15-5-7(6-16-12)10(21)20-22/h1-6,22H,(H,20,21)(H,15,16,17,19).
What are the key properties of 2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 348.78 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 56658048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).