N-hydroxy-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzoate;pyridin-2-amine;N-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;tungsten

C51H52F6N18O4S4W — CID 159595229

IUPACN-hydroxy-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzoate;pyridin-2-amine;N-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;tungsten
SMILESC.C.COC(=O)c1ccc(CN(c2ccccn2)c2nc(C)ns2)cc1.Cc1nsc(N(Cc2ccc(C(=O)NO)cc2)c2ccccn2)n1.FC(F)(F)c1nsc(Nc2ccccn2)n1.Nc1ccccn1.Nc1nc(C(F)(F)F)ns1.[W]
InChIInChI=1S/C17H16N4O2S.C16H15N5O2S.C8H5F3N4S.C5H6N2.C3H2F3N3S.2CH4.W/c1-12-19-17(24-20-12)21(15-5-3-4-10-18-15)11-13-6-8-14(9-7-13)16(22)23-2;1-11-18-16(24-20-11)21(14-4-2-3-9-17-14)10-12-5-7-13(8-6-12)15(22)19-23;9-8(10,11)6-14-7(16-15-6)13-5-3-1-2-4-12-5;6-5-3-1-2-4-7-5;4-3(5,6)1-8-2(7)10-9-1;;;/h3-10H,11H2,1-2H3;2-9,23H,10H2,1H3,(H,19,22);1-4H,(H,12,13,14,15);1-4H,(H2,6,7);(H2,7,8,9);2*1H4;
InChIKeyMKTDSVSUBSVCMU-UHFFFAOYSA-N
MW1407.19 g/mol
LogP11.83
Rot. Bonds12

About N-hydroxy-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzoate;pyridin-2-amine;N-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;tungsten

N-hydroxy-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzoate;pyridin-2-amine;N-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;tungsten (PubChem CID 159595229) has the molecular formula C51H52F6N18O4S4W and a molecular weight of 1407.19 g/mol. Its IUPAC name is N-hydroxy-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzoate;pyridin-2-amine;N-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;tungsten.

Molecular Properties

Compound NameN-hydroxy-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzoate;pyridin-2-amine;N-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;tungsten
PubChem CID159595229
Molecular FormulaC51H52F6N18O4S4W
Molecular Weight1407.19 g/mol
Exact Mass1406.27
IUPAC NameN-hydroxy-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzoate;pyridin-2-amine;N-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;tungsten
SMILESC.C.COC(=O)c1ccc(CN(c2ccccn2)c2nc(C)ns2)cc1.Cc1nsc(N(Cc2ccc(C(=O)NO)cc2)c2ccccn2)n1.FC(F)(F)c1nsc(Nc2ccccn2)n1.Nc1ccccn1.Nc1nc(C(F)(F)F)ns1.[W]
InChIInChI=1S/C17H16N4O2S.C16H15N5O2S.C8H5F3N4S.C5H6N2.C3H2F3N3S.2CH4.W/c1-12-19-17(24-20-12)21(15-5-3-4-10-18-15)11-13-6-8-14(9-7-13)16(22)23-2;1-11-18-16(24-20-11)21(14-4-2-3-9-17-14)10-12-5-7-13(8-6-12)15(22)19-23;9-8(10,11)6-14-7(16-15-6)13-5-3-1-2-4-12-5;6-5-3-1-2-4-7-5;4-3(5,6)1-8-2(7)10-9-1;;;/h3-10H,11H2,1-2H3;2-9,23H,10H2,1H3,(H,19,22);1-4H,(H,12,13,14,15);1-4H,(H2,6,7);(H2,7,8,9);2*1H4;
InChIKeyMKTDSVSUBSVCMU-UHFFFAOYSA-N
XLogP11.83
TPSA300.86 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds12
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001407.19
LogP ≤ 511.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze N-hydroxy-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzoate;pyridin-2-amine;N-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;tungsten with MolForge

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Related Compounds

N-hydroxy-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide;methyl 4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzoate;pyridin-2-amine;N-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;tungsten
CID 161545227
2-bromo-5-fluoropyridine;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]benzoate;3-methyl-1,2,4-oxadiazol-5-amine
CID 157505446
2-chloro-4-(4-fluorophenyl)pyridine;N-[4-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2,4-thiadiazol-5-amine;4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;3-methyl-1,2,4-thiadiazol-5-amine;sulfane
CID 157632723
5-chloro-3-methyl-1,2,4-thiadiazole;N-hydroxy-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyrazin-2-ylamino]methyl]benzamide;methyl 4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyrazin-2-ylamino]methyl]benzoate;3-methyl-N-pyrazin-2-yl-1,2,4-thiadiazol-5-amine;molecular oxygen;pyrazin-2-amine
CID 158051567
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
2-bromopyridine;N-hydroxy-4-[[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]methyl]benzamide;methyl 4-[[pyridin-2-yl(1,3,4-thiadiazol-2-yl)amino]methyl]benzoate;N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;1,3,4-thiadiazol-2-amine;hydrofluoride
CID 158460823
2-bromopyridine;N-hydroxy-4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methyl 4-[[(5-methyl-1,3,4-thiadiazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;5-methyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;molecular hydrogen
CID 158723641
5-chloro-3-methyl-1,2,4-thiadiazole;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]heptanoate;5-fluoropyridin-2-amine;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-thiadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-hydroxyheptanamide
CID 158752455
2-bromopyridine;deuterium monohydride;N-hydroxy-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide;methyl 4-[[(3-methyl-1,2,4-oxadiazol-5-yl)-pyridin-2-ylamino]methyl]benzoate;3-methyl-1,2,4-oxadiazol-5-amine;3-methyl-N-pyridin-2-yl-1,2,4-oxadiazol-5-amine
CID 160188675
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;methane;methyl 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;3-methyl-1,2,4-thiadiazol-5-amine;tritium monohydride
CID 160621996
2-chloro-4-(4-fluorophenyl)pyridine;N-[4-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2,4-thiadiazol-5-amine;4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-hydroxybenzamide;methyl 4-[[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzoate;3-methyl-1,2,4-thiadiazol-5-amine;sulfane
CID 161214753
3,5-dimethyl-1,2,4-thiadiazole;N-hydroxy-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyrazin-2-ylamino]methyl]benzamide;methyl 4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyrazin-2-ylamino]methyl]benzoate;3-methyl-N-pyrazin-2-yl-1,2,4-thiadiazol-5-amine;molecular oxygen;pyrazin-2-amine
CID 161922454

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzoate;pyridin-2-amine;N-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;tungsten?
The IUPAC name of N-hydroxy-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzoate;pyridin-2-amine;N-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;tungsten (CID 159595229) is N-hydroxy-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzoate;pyridin-2-amine;N-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;tungsten.
What is the SMILES notation for N-hydroxy-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzoate;pyridin-2-amine;N-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;tungsten?
The canonical SMILES for N-hydroxy-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzoate;pyridin-2-amine;N-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;tungsten is C.C.COC(=O)c1ccc(CN(c2ccccn2)c2nc(C)ns2)cc1.Cc1nsc(N(Cc2ccc(C(=O)NO)cc2)c2ccccn2)n1.FC(F)(F)c1nsc(Nc2ccccn2)n1.Nc1ccccn1.Nc1nc(C(F)(F)F)ns1.[W].
What is the InChIKey of N-hydroxy-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzoate;pyridin-2-amine;N-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;tungsten?
The InChIKey is MKTDSVSUBSVCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S.C16H15N5O2S.C8H5F3N4S.C5H6N2.C3H2F3N3S.2CH4.W/c1-12-19-17(24-20-12)21(15-5-3-4-10-18-15)11-13-6-8-14(9-7-13)16(22)23-2;1-11-18-16(24-20-11)21(14-4-2-3-9-17-14)10-12-5-7-13(8-6-12)15(22)19-23;9-8(10,11)6-14-7(16-15-6)13-5-3-1-2-4-12-5;6-5-3-1-2-4-7-5;4-3(5,6)1-8-2(7)10-9-1;;;/h3-10H,11H2,1-2H3;2-9,23H,10H2,1H3,(H,19,22);1-4H,(H,12,13,14,15);1-4H,(H2,6,7);(H2,7,8,9);2*1H4;.
What are the key properties of N-hydroxy-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzoate;pyridin-2-amine;N-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;tungsten?
N-hydroxy-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzoate;pyridin-2-amine;N-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;tungsten has a molecular weight of 1407.19 g/mol, XLogP of 11.83, 12 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-2-ylamino]methyl]benzoate;pyridin-2-amine;N-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine;tungsten is sourced from PubChem (CID 159595229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).