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

C73H62ClF4N17O4S5 — CID 161214753

IUPAC2-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
SMILESCOC(=O)c1ccc(CN(c2cc(-c3ccc(F)cc3)ccn2)c2nc(C)ns2)cc1.Cc1nsc(N(Cc2ccc(C(=O)NO)cc2)c2cc(-c3ccc(F)cc3)ccn2)n1.Cc1nsc(N)n1.Cc1nsc(Nc2cc(-c3ccc(F)cc3)ccn2)n1.Fc1ccc(-c2ccnc(Cl)c2)cc1.S
InChIInChI=1S/C23H19FN4O2S.C22H18FN5O2S.C14H11FN4S.C11H7ClFN.C3H5N3S.H2S/c1-15-26-23(31-27-15)28(14-16-3-5-18(6-4-16)22(29)30-2)21-13-19(11-12-25-21)17-7-9-20(24)10-8-17;1-14-25-22(31-27-14)28(13-15-2-4-17(5-3-15)21(29)26-30)20-12-18(10-11-24-20)16-6-8-19(23)9-7-16;1-9-17-14(20-19-9)18-13-8-11(6-7-16-13)10-2-4-12(15)5-3-10;12-11-7-9(5-6-14-11)8-1-3-10(13)4-2-8;1-2-5-3(4)7-6-2;/h3-13H,14H2,1-2H3;2-12,30H,13H2,1H3,(H,26,29);2-8H,1H3,(H,16,17,18,19);1-7H;1H3,(H2,4,5,6);1H2
InChIKeyUWSAHUOOKPZCGJ-UHFFFAOYSA-N
MW1513.19 g/mol
LogP17.55
Rot. Bonds16

About 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

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 (PubChem CID 161214753) has the molecular formula C73H62ClF4N17O4S5 and a molecular weight of 1513.19 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID161214753
Molecular FormulaC73H62ClF4N17O4S5
Molecular Weight1513.19 g/mol
Exact Mass1511.34
IUPAC Name2-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
SMILESCOC(=O)c1ccc(CN(c2cc(-c3ccc(F)cc3)ccn2)c2nc(C)ns2)cc1.Cc1nsc(N(Cc2ccc(C(=O)NO)cc2)c2cc(-c3ccc(F)cc3)ccn2)n1.Cc1nsc(N)n1.Cc1nsc(Nc2cc(-c3ccc(F)cc3)ccn2)n1.Fc1ccc(-c2ccnc(Cl)c2)cc1.S
InChIInChI=1S/C23H19FN4O2S.C22H18FN5O2S.C14H11FN4S.C11H7ClFN.C3H5N3S.H2S/c1-15-26-23(31-27-15)28(14-16-3-5-18(6-4-16)22(29)30-2)21-13-19(11-12-25-21)17-7-9-20(24)10-8-17;1-14-25-22(31-27-14)28(13-15-2-4-17(5-3-15)21(29)26-30)20-12-18(10-11-24-20)16-6-8-19(23)9-7-16;1-9-17-14(20-19-9)18-13-8-11(6-7-16-13)10-2-4-12(15)5-3-10;12-11-7-9(5-6-14-11)8-1-3-10(13)4-2-8;1-2-5-3(4)7-6-2;/h3-13H,14H2,1-2H3;2-12,30H,13H2,1H3,(H,26,29);2-8H,1H3,(H,16,17,18,19);1-7H;1H3,(H2,4,5,6);1H2
InChIKeyUWSAHUOOKPZCGJ-UHFFFAOYSA-N
XLogP17.55
TPSA274.84 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001513.19
LogP ≤ 517.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)c1ccc(CN(c2cc(-c3ccc(F)cc3)ccn2)c2nc(C)ns2)cc1.Cc1nsc(N(Cc2ccc(C(=O)NO)cc2)c2cc(-c3ccc(F)cc3)ccn2)n1.Cc1nsc(N)n1.Cc1nsc(Nc2cc(-c3ccc(F)cc3)ccn2)n1.Fc1ccc(-c2ccnc(Cl)c2)cc1.S.
What is the InChIKey of 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?
The InChIKey is UWSAHUOOKPZCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2S.C22H18FN5O2S.C14H11FN4S.C11H7ClFN.C3H5N3S.H2S/c1-15-26-23(31-27-15)28(14-16-3-5-18(6-4-16)22(29)30-2)21-13-19(11-12-25-21)17-7-9-20(24)10-8-17;1-14-25-22(31-27-14)28(13-15-2-4-17(5-3-15)21(29)26-30)20-12-18(10-11-24-20)16-6-8-19(23)9-7-16;1-9-17-14(20-19-9)18-13-8-11(6-7-16-13)10-2-4-12(15)5-3-10;12-11-7-9(5-6-14-11)8-1-3-10(13)4-2-8;1-2-5-3(4)7-6-2;/h3-13H,14H2,1-2H3;2-12,30H,13H2,1H3,(H,26,29);2-8H,1H3,(H,16,17,18,19);1-7H;1H3,(H2,4,5,6);1H2.
What are the key properties of 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?
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 has a molecular weight of 1513.19 g/mol, XLogP of 17.55, 16 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161214753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).