sodium;amino(hydroxy)azanide;methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine;2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid

C74H68ClF9N11NaO7S3 — CID 167688585

IUPACsodium;amino(hydroxy)azanide;methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine;2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCC(C)Cc1sc(N)nc1-c1ccc2ccccc2c1.CC(C)Cc1sc(Nc2ncc(C(F)(F)F)cc2C(=O)O)nc1-c1ccc2ccccc2c1.COC(=O)c1cc(C(F)(F)F)cnc1Cl.COC(=O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc3ccccc3c2)c(CC(C)C)s1.N[N-]O.[Na+]
InChIInChI=1S/C25H22F3N3O2S.C24H20F3N3O2S.C17H18N2S.C8H5ClF3NO2.H3N2O.Na/c1-14(2)10-20-21(17-9-8-15-6-4-5-7-16(15)11-17)30-24(34-20)31-22-19(23(32)33-3)12-18(13-29-22)25(26,27)28;1-13(2)9-19-20(16-8-7-14-5-3-4-6-15(14)10-16)29-23(33-19)30-21-18(22(31)32)11-17(12-28-21)24(25,26)27;1-11(2)9-15-16(19-17(18)20-15)14-8-7-12-5-3-4-6-13(12)10-14;1-15-7(14)5-2-4(8(10,11)12)3-13-6(5)9;1-2-3;/h4-9,11-14H,10H2,1-3H3,(H,29,30,31);3-8,10-13H,9H2,1-2H3,(H,31,32)(H,28,29,30);3-8,10-11H,9H2,1-2H3,(H2,18,19);2-3H,1H3;3H,1H2;/q;;;;-1;+1
InChIKeyWOXIVYBHDSENHJ-UHFFFAOYSA-N
MW1549.05 g/mol
LogP18.03
Rot. Bonds16

About sodium;amino(hydroxy)azanide;methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine;2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid

sodium;amino(hydroxy)azanide;methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine;2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 167688585) has the molecular formula C74H68ClF9N11NaO7S3 and a molecular weight of 1549.05 g/mol. Its IUPAC name is sodium;amino(hydroxy)azanide;methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine;2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Namesodium;amino(hydroxy)azanide;methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine;2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID167688585
Molecular FormulaC74H68ClF9N11NaO7S3
Molecular Weight1549.05 g/mol
Exact Mass1547.39
IUPAC Namesodium;amino(hydroxy)azanide;methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine;2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCC(C)Cc1sc(N)nc1-c1ccc2ccccc2c1.CC(C)Cc1sc(Nc2ncc(C(F)(F)F)cc2C(=O)O)nc1-c1ccc2ccccc2c1.COC(=O)c1cc(C(F)(F)F)cnc1Cl.COC(=O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc3ccccc3c2)c(CC(C)C)s1.N[N-]O.[Na+]
InChIInChI=1S/C25H22F3N3O2S.C24H20F3N3O2S.C17H18N2S.C8H5ClF3NO2.H3N2O.Na/c1-14(2)10-20-21(17-9-8-15-6-4-5-7-16(15)11-17)30-24(34-20)31-22-19(23(32)33-3)12-18(13-29-22)25(26,27)28;1-13(2)9-19-20(16-8-7-14-5-3-4-6-15(14)10-16)29-23(33-19)30-21-18(22(31)32)11-17(12-28-21)24(25,26)27;1-11(2)9-15-16(19-17(18)20-15)14-8-7-12-5-3-4-6-13(12)10-14;1-15-7(14)5-2-4(8(10,11)12)3-13-6(5)9;1-2-3;/h4-9,11-14H,10H2,1-3H3,(H,29,30,31);3-8,10-13H,9H2,1-2H3,(H,31,32)(H,28,29,30);3-8,10-11H,9H2,1-2H3,(H2,18,19);2-3H,1H3;3H,1H2;/q;;;;-1;+1
InChIKeyWOXIVYBHDSENHJ-UHFFFAOYSA-N
XLogP18.03
TPSA277.67 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001549.05
LogP ≤ 518.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze sodium;amino(hydroxy)azanide;methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine;2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;amino(hydroxy)azanide;methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine;2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of sodium;amino(hydroxy)azanide;methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine;2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid (CID 167688585) is sodium;amino(hydroxy)azanide;methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine;2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for sodium;amino(hydroxy)azanide;methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine;2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for sodium;amino(hydroxy)azanide;methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine;2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid is CC(C)Cc1sc(N)nc1-c1ccc2ccccc2c1.CC(C)Cc1sc(Nc2ncc(C(F)(F)F)cc2C(=O)O)nc1-c1ccc2ccccc2c1.COC(=O)c1cc(C(F)(F)F)cnc1Cl.COC(=O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc3ccccc3c2)c(CC(C)C)s1.N[N-]O.[Na+].
What is the InChIKey of sodium;amino(hydroxy)azanide;methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine;2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is WOXIVYBHDSENHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3O2S.C24H20F3N3O2S.C17H18N2S.C8H5ClF3NO2.H3N2O.Na/c1-14(2)10-20-21(17-9-8-15-6-4-5-7-16(15)11-17)30-24(34-20)31-22-19(23(32)33-3)12-18(13-29-22)25(26,27)28;1-13(2)9-19-20(16-8-7-14-5-3-4-6-15(14)10-16)29-23(33-19)30-21-18(22(31)32)11-17(12-28-21)24(25,26)27;1-11(2)9-15-16(19-17(18)20-15)14-8-7-12-5-3-4-6-13(12)10-14;1-15-7(14)5-2-4(8(10,11)12)3-13-6(5)9;1-2-3;/h4-9,11-14H,10H2,1-3H3,(H,29,30,31);3-8,10-13H,9H2,1-2H3,(H,31,32)(H,28,29,30);3-8,10-11H,9H2,1-2H3,(H2,18,19);2-3H,1H3;3H,1H2;/q;;;;-1;+1.
What are the key properties of sodium;amino(hydroxy)azanide;methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine;2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid?
sodium;amino(hydroxy)azanide;methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine;2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 1549.05 g/mol, XLogP of 18.03, 16 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;amino(hydroxy)azanide;methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylate;5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine;2-[[5-(2-methylpropyl)-4-naphthalen-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 167688585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).