5-chloro-3-methyl-1,2,4-thiadiazole;5-fluoropyridin-2-amine;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-thiadiazol-5-amine;4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-hydroxybenzamide;methyl 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;tritium monohydride

C49H46ClF4N17O4S4 — CID 158167305

About 5-chloro-3-methyl-1,2,4-thiadiazole;5-fluoropyridin-2-amine;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-thiadiazol-5-amine;4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-hydroxybenzamide;methyl 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;tritium monohydride

5-chloro-3-methyl-1,2,4-thiadiazole;5-fluoropyridin-2-amine;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-thiadiazol-5-amine;4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-hydroxybenzamide;methyl 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;tritium monohydride (PubChem CID 158167305) has the molecular formula C49H46ClF4N17O4S4 and a molecular weight of 1178.74 g/mol. Its IUPAC name is 5-chloro-3-methyl-1,2,4-thiadiazole;5-fluoropyridin-2-amine;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-thiadiazol-5-amine;4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-hydroxybenzamide;methyl 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;tritium monohydride.

Molecular Properties

• Compound Name: 5-chloro-3-methyl-1,2,4-thiadiazole;5-fluoropyridin-2-amine;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-thiadiazol-5-amine;4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-hydroxybenzamide;methyl 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;tritium monohydride
• PubChem CID: 158167305
• Molecular Formula: C49H46ClF4N17O4S4
• Molecular Weight: 1178.74 g/mol
• Exact Mass: 1177.25
• IUPAC Name: 5-chloro-3-methyl-1,2,4-thiadiazole;5-fluoropyridin-2-amine;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-thiadiazol-5-amine;4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-hydroxybenzamide;methyl 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;tritium monohydride
• SMILES: COC(=O)c1ccc(CN(c2ccc(F)cn2)c2nc(C)ns2)cc1.Cc1nsc(Cl)n1.Cc1nsc(N(Cc2ccc(C(=O)NO)cc2)c2ccc(F)cn2)n1.Cc1nsc(Nc2ccc(F)cn2)n1.Nc1ccc(F)cn1.[H][3H]
• InChI: InChI=1S/C17H15FN4O2S.C16H14FN5O2S.C8H7FN4S.C5H5FN2.C3H3ClN2S.H2/c1-11-20-17(25-21-11)22(15-8-7-14(18)9-19-15)10-12-3-5-13(6-4-12)16(23)24-2;1-10-19-16(25-21-10)22(14-7-6-13(17)8-18-14)9-11-2-4-12(5-3-11)15(23)20-24;1-5-11-8(14-13-5)12-7-3-2-6(9)4-10-7;6-4-1-2-5(7)8-3-4;1-2-5-3(4)7-6-2;/h3-9H,10H2,1-2H3;2-8,24H,9H2,1H3,(H,20,23);2-4H,1H3,(H,10,11,12,13);1-3H,(H2,7,8);1H3;1H/i;;;;;1+2
• InChIKey: FWZSTXOEDYVHJG-FIXKXVDVSA-N
• XLogP: 11.02
• TPSA: 274.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1178.74
LogP ≤ 5	11.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-1,2,4-thiadiazole;5-fluoropyridin-2-amine;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-thiadiazol-5-amine;4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-hydroxybenzamide;methyl 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;tritium monohydride?

The IUPAC name of 5-chloro-3-methyl-1,2,4-thiadiazole;5-fluoropyridin-2-amine;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-thiadiazol-5-amine;4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-hydroxybenzamide;methyl 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;tritium monohydride (CID 158167305) is 5-chloro-3-methyl-1,2,4-thiadiazole;5-fluoropyridin-2-amine;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-thiadiazol-5-amine;4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-hydroxybenzamide;methyl 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;tritium monohydride.

What is the SMILES notation for 5-chloro-3-methyl-1,2,4-thiadiazole;5-fluoropyridin-2-amine;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-thiadiazol-5-amine;4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-hydroxybenzamide;methyl 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;tritium monohydride?

The canonical SMILES for 5-chloro-3-methyl-1,2,4-thiadiazole;5-fluoropyridin-2-amine;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-thiadiazol-5-amine;4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-hydroxybenzamide;methyl 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;tritium monohydride is COC(=O)c1ccc(CN(c2ccc(F)cn2)c2nc(C)ns2)cc1.Cc1nsc(Cl)n1.Cc1nsc(N(Cc2ccc(C(=O)NO)cc2)c2ccc(F)cn2)n1.Cc1nsc(Nc2ccc(F)cn2)n1.Nc1ccc(F)cn1.[H][3H].

What is the InChIKey of 5-chloro-3-methyl-1,2,4-thiadiazole;5-fluoropyridin-2-amine;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-thiadiazol-5-amine;4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-hydroxybenzamide;methyl 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;tritium monohydride?

The InChIKey is FWZSTXOEDYVHJG-FIXKXVDVSA-N. The full InChI is InChI=1S/C17H15FN4O2S.C16H14FN5O2S.C8H7FN4S.C5H5FN2.C3H3ClN2S.H2/c1-11-20-17(25-21-11)22(15-8-7-14(18)9-19-15)10-12-3-5-13(6-4-12)16(23)24-2;1-10-19-16(25-21-10)22(14-7-6-13(17)8-18-14)9-11-2-4-12(5-3-11)15(23)20-24;1-5-11-8(14-13-5)12-7-3-2-6(9)4-10-7;6-4-1-2-5(7)8-3-4;1-2-5-3(4)7-6-2;/h3-9H,10H2,1-2H3;2-8,24H,9H2,1H3,(H,20,23);2-4H,1H3,(H,10,11,12,13);1-3H,(H2,7,8);1H3;1H/i;;;;;1+2.

What are the key properties of 5-chloro-3-methyl-1,2,4-thiadiazole;5-fluoropyridin-2-amine;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-thiadiazol-5-amine;4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-hydroxybenzamide;methyl 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;tritium monohydride?

5-chloro-3-methyl-1,2,4-thiadiazole;5-fluoropyridin-2-amine;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-thiadiazol-5-amine;4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-hydroxybenzamide;methyl 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;tritium monohydride has a molecular weight of 1178.74 g/mol, XLogP of 11.02, 12 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-3-methyl-1,2,4-thiadiazole;5-fluoropyridin-2-amine;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-thiadiazol-5-amine;4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-hydroxybenzamide;methyl 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;tritium monohydride is sourced from PubChem (CID 158167305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).