N-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine;3-chloro-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine;3,5-dimethyl-4-(2-phenyl-1,3-thiazol-5-yl)-1,2-oxazole;1,2-dimethylpyrrole;2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-methyl-1,3-thiazole;4-ethyl-2-phenyl-1,3-thiazole;6-ethyl-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;2-ethyl-5-[4-(trifluoromethyl)phenyl]tetrazole;3-methylpyridine;9-methyl-9H-xanthene;3-propyl-1H-indole

C120H125Cl2F9N18O3S6 — CID 158399552

About N-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine;3-chloro-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine;3,5-dimethyl-4-(2-phenyl-1,3-thiazol-5-yl)-1,2-oxazole;1,2-dimethylpyrrole;2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-methyl-1,3-thiazole;4-ethyl-2-phenyl-1,3-thiazole;6-ethyl-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;2-ethyl-5-[4-(trifluoromethyl)phenyl]tetrazole;3-methylpyridine;9-methyl-9H-xanthene;3-propyl-1H-indole

N-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine;3-chloro-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine;3,5-dimethyl-4-(2-phenyl-1,3-thiazol-5-yl)-1,2-oxazole;1,2-dimethylpyrrole;2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-methyl-1,3-thiazole;4-ethyl-2-phenyl-1,3-thiazole;6-ethyl-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;2-ethyl-5-[4-(trifluoromethyl)phenyl]tetrazole;3-methylpyridine;9-methyl-9H-xanthene;3-propyl-1H-indole (PubChem CID 158399552) has the molecular formula C120H125Cl2F9N18O3S6 and a molecular weight of 2301.73 g/mol. Its IUPAC name is N-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine;3-chloro-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine;3,5-dimethyl-4-(2-phenyl-1,3-thiazol-5-yl)-1,2-oxazole;1,2-dimethylpyrrole;2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-methyl-1,3-thiazole;4-ethyl-2-phenyl-1,3-thiazole;6-ethyl-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;2-ethyl-5-[4-(trifluoromethyl)phenyl]tetrazole;3-methylpyridine;9-methyl-9H-xanthene;3-propyl-1H-indole.

Molecular Properties

• Compound Name: N-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine;3-chloro-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine;3,5-dimethyl-4-(2-phenyl-1,3-thiazol-5-yl)-1,2-oxazole;1,2-dimethylpyrrole;2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-methyl-1,3-thiazole;4-ethyl-2-phenyl-1,3-thiazole;6-ethyl-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;2-ethyl-5-[4-(trifluoromethyl)phenyl]tetrazole;3-methylpyridine;9-methyl-9H-xanthene;3-propyl-1H-indole
• PubChem CID: 158399552
• Molecular Formula: C120H125Cl2F9N18O3S6
• Molecular Weight: 2301.73 g/mol
• Exact Mass: 2298.77
• IUPAC Name: N-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine;3-chloro-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine;3,5-dimethyl-4-(2-phenyl-1,3-thiazol-5-yl)-1,2-oxazole;1,2-dimethylpyrrole;2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-methyl-1,3-thiazole;4-ethyl-2-phenyl-1,3-thiazole;6-ethyl-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;2-ethyl-5-[4-(trifluoromethyl)phenyl]tetrazole;3-methylpyridine;9-methyl-9H-xanthene;3-propyl-1H-indole
• SMILES: CC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.CC1c2ccccc2Oc2ccccc21.CCCCNc1ncc(C(F)(F)F)cc1Cl.CCCc1c[nH]c2ccccc12.CCc1csc(-c2ccccc2)n1.CCc1csc2nc(-c3ccccc3)nn12.CCn1nnc(-c2ccc(C(F)(F)F)cc2)n1.Cc1cccn1C.Cc1cccnc1.Cc1csc(COc2ccc(C3SCCS3)cc2)n1.Cc1noc(C)c1-c1cnc(-c2ccccc2)s1
• InChI: InChI=1S/C14H12N2OS.C14H15NOS3.C14H12O.C12H14ClF3N2.C12H11N3S.C11H11NS.C11H13N.C10H12ClF3N2.C10H9F3N4.C6H9N.C6H7N/c1-9-13(10(2)17-16-9)12-8-15-14(18-12)11-6-4-3-5-7-11;1-10-9-19-13(15-10)8-16-12-4-2-11(3-5-12)14-17-6-7-18-14;1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14;1-8-2-4-18(5-3-8)11-10(13)6-9(7-17-11)12(14,15)16;1-2-10-8-16-12-13-11(14-15(10)12)9-6-4-3-5-7-9;1-2-10-8-13-11(12-10)9-6-4-3-5-7-9;1-2-5-9-8-12-11-7-4-3-6-10(9)11;1-2-3-4-15-9-8(11)5-7(6-16-9)10(12,13)14;1-2-17-15-9(14-16-17)7-3-5-8(6-4-7)10(11,12)13;1-6-4-3-5-7(6)2;1-6-3-2-4-7-5-6/h3-8H,1-2H3;2-5,9,14H,6-8H2,1H3;2-10H,1H3;6-8H,2-5H2,1H3;3-8H,2H2,1H3;3-8H,2H2,1H3;3-4,6-8,12H,2,5H2,1H3;5-6H,2-4H2,1H3,(H,15,16);3-6H,2H2,1H3;3-5H,1-2H3;2-5H,1H3
• InChIKey: GXXYIBHZSAGZFQ-UHFFFAOYSA-N
• XLogP: 35.11
• TPSA: 231.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 19
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2301.73
LogP ≤ 5	35.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine;3-chloro-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine;3,5-dimethyl-4-(2-phenyl-1,3-thiazol-5-yl)-1,2-oxazole;1,2-dimethylpyrrole;2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-methyl-1,3-thiazole;4-ethyl-2-phenyl-1,3-thiazole;6-ethyl-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;2-ethyl-5-[4-(trifluoromethyl)phenyl]tetrazole;3-methylpyridine;9-methyl-9H-xanthene;3-propyl-1H-indole?

The IUPAC name of N-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine;3-chloro-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine;3,5-dimethyl-4-(2-phenyl-1,3-thiazol-5-yl)-1,2-oxazole;1,2-dimethylpyrrole;2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-methyl-1,3-thiazole;4-ethyl-2-phenyl-1,3-thiazole;6-ethyl-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;2-ethyl-5-[4-(trifluoromethyl)phenyl]tetrazole;3-methylpyridine;9-methyl-9H-xanthene;3-propyl-1H-indole (CID 158399552) is N-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine;3-chloro-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine;3,5-dimethyl-4-(2-phenyl-1,3-thiazol-5-yl)-1,2-oxazole;1,2-dimethylpyrrole;2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-methyl-1,3-thiazole;4-ethyl-2-phenyl-1,3-thiazole;6-ethyl-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;2-ethyl-5-[4-(trifluoromethyl)phenyl]tetrazole;3-methylpyridine;9-methyl-9H-xanthene;3-propyl-1H-indole.

What is the SMILES notation for N-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine;3-chloro-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine;3,5-dimethyl-4-(2-phenyl-1,3-thiazol-5-yl)-1,2-oxazole;1,2-dimethylpyrrole;2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-methyl-1,3-thiazole;4-ethyl-2-phenyl-1,3-thiazole;6-ethyl-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;2-ethyl-5-[4-(trifluoromethyl)phenyl]tetrazole;3-methylpyridine;9-methyl-9H-xanthene;3-propyl-1H-indole?

The canonical SMILES for N-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine;3-chloro-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine;3,5-dimethyl-4-(2-phenyl-1,3-thiazol-5-yl)-1,2-oxazole;1,2-dimethylpyrrole;2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-methyl-1,3-thiazole;4-ethyl-2-phenyl-1,3-thiazole;6-ethyl-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;2-ethyl-5-[4-(trifluoromethyl)phenyl]tetrazole;3-methylpyridine;9-methyl-9H-xanthene;3-propyl-1H-indole is CC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.CC1c2ccccc2Oc2ccccc21.CCCCNc1ncc(C(F)(F)F)cc1Cl.CCCc1c[nH]c2ccccc12.CCc1csc(-c2ccccc2)n1.CCc1csc2nc(-c3ccccc3)nn12.CCn1nnc(-c2ccc(C(F)(F)F)cc2)n1.Cc1cccn1C.Cc1cccnc1.Cc1csc(COc2ccc(C3SCCS3)cc2)n1.Cc1noc(C)c1-c1cnc(-c2ccccc2)s1.

What is the InChIKey of N-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine;3-chloro-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine;3,5-dimethyl-4-(2-phenyl-1,3-thiazol-5-yl)-1,2-oxazole;1,2-dimethylpyrrole;2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-methyl-1,3-thiazole;4-ethyl-2-phenyl-1,3-thiazole;6-ethyl-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;2-ethyl-5-[4-(trifluoromethyl)phenyl]tetrazole;3-methylpyridine;9-methyl-9H-xanthene;3-propyl-1H-indole?

The InChIKey is GXXYIBHZSAGZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS.C14H15NOS3.C14H12O.C12H14ClF3N2.C12H11N3S.C11H11NS.C11H13N.C10H12ClF3N2.C10H9F3N4.C6H9N.C6H7N/c1-9-13(10(2)17-16-9)12-8-15-14(18-12)11-6-4-3-5-7-11;1-10-9-19-13(15-10)8-16-12-4-2-11(3-5-12)14-17-6-7-18-14;1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14;1-8-2-4-18(5-3-8)11-10(13)6-9(7-17-11)12(14,15)16;1-2-10-8-16-12-13-11(14-15(10)12)9-6-4-3-5-7-9;1-2-10-8-13-11(12-10)9-6-4-3-5-7-9;1-2-5-9-8-12-11-7-4-3-6-10(9)11;1-2-3-4-15-9-8(11)5-7(6-16-9)10(12,13)14;1-2-17-15-9(14-16-17)7-3-5-8(6-4-7)10(11,12)13;1-6-4-3-5-7(6)2;1-6-3-2-4-7-5-6/h3-8H,1-2H3;2-5,9,14H,6-8H2,1H3;2-10H,1H3;6-8H,2-5H2,1H3;3-8H,2H2,1H3;3-8H,2H2,1H3;3-4,6-8,12H,2,5H2,1H3;5-6H,2-4H2,1H3,(H,15,16);3-6H,2H2,1H3;3-5H,1-2H3;2-5H,1H3.

What are the key properties of N-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine;3-chloro-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine;3,5-dimethyl-4-(2-phenyl-1,3-thiazol-5-yl)-1,2-oxazole;1,2-dimethylpyrrole;2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-methyl-1,3-thiazole;4-ethyl-2-phenyl-1,3-thiazole;6-ethyl-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;2-ethyl-5-[4-(trifluoromethyl)phenyl]tetrazole;3-methylpyridine;9-methyl-9H-xanthene;3-propyl-1H-indole?

N-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine;3-chloro-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine;3,5-dimethyl-4-(2-phenyl-1,3-thiazol-5-yl)-1,2-oxazole;1,2-dimethylpyrrole;2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-methyl-1,3-thiazole;4-ethyl-2-phenyl-1,3-thiazole;6-ethyl-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;2-ethyl-5-[4-(trifluoromethyl)phenyl]tetrazole;3-methylpyridine;9-methyl-9H-xanthene;3-propyl-1H-indole has a molecular weight of 2301.73 g/mol, XLogP of 35.11, 19 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-amine;3-chloro-2-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine;3,5-dimethyl-4-(2-phenyl-1,3-thiazol-5-yl)-1,2-oxazole;1,2-dimethylpyrrole;2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-methyl-1,3-thiazole;4-ethyl-2-phenyl-1,3-thiazole;6-ethyl-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;2-ethyl-5-[4-(trifluoromethyl)phenyl]tetrazole;3-methylpyridine;9-methyl-9H-xanthene;3-propyl-1H-indole is sourced from PubChem (CID 158399552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).