N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide;6-propan-2-yl-1,2-benzoxazol-3-amine;7-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;4-propan-2-yl-2,3-dihydro-1H-inden-1-ol;2-(3-propan-2-ylphenyl)-1H-imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(3-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-1H-pyrazole;5-(3-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-yl-5-(trifluoromethyl)benzene-1,2-diamine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-2H-benzotriazole

C172H198F15N33O4S — CID 159964280

IUPACN-(6-propan-2-yl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide;6-propan-2-yl-1,2-benzoxazol-3-amine;7-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;4-propan-2-yl-2,3-dihydro-1H-inden-1-ol;2-(3-propan-2-ylphenyl)-1H-imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(3-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-1H-pyrazole;5-(3-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-yl-5-(trifluoromethyl)benzene-1,2-diamine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-2H-benzotriazole
SMILESCC(C)c1cc(C(F)(F)F)cc(N)c1N.CC(C)c1cc(C(F)(F)F)cc2[nH]c(N)nc12.CC(C)c1cc(C(F)(F)F)cc2[nH]cnc12.CC(C)c1cc(C(F)(F)F)cc2n[nH]nc12.CC(C)c1ccc(-c2cn[nH]c2)cc1.CC(C)c1ccc(-c2ncc[nH]2)cc1.CC(C)c1ccc(-c2nn[nH]n2)cc1.CC(C)c1ccc2c(N)noc2c1.CC(C)c1ccc2c(c1)CC(N)C2.CC(C)c1ccc2nc(NC(=O)c3cccc(C(F)(F)F)c3)sc2c1.CC(C)c1cccc(-c2cn[nH]c2)c1.CC(C)c1cccc(-c2ncc[nH]2)c1.CC(C)c1cccc(-c2nn[nH]n2)c1.CC(C)c1cccc2c(N)noc12.CC(C)c1cccc2c1CCC2O
InChIInChI=1S/C18H15F3N2OS.4C12H14N2.C12H17N.C12H16O.C11H12F3N3.C11H11F3N2.C10H10F3N3.C10H13F3N2.2C10H12N4.2C10H12N2O/c1-10(2)11-6-7-14-15(9-11)25-17(22-14)23-16(24)12-4-3-5-13(8-12)18(19,20)21;1-9(2)10-3-5-11(6-4-10)12-7-13-14-8-12;1-9(2)10-3-5-11(6-4-10)12-13-7-8-14-12;1-9(2)10-4-3-5-11(6-10)12-7-13-14-8-12;1-9(2)10-4-3-5-11(8-10)12-13-6-7-14-12;1-8(2)9-3-4-10-6-12(13)7-11(10)5-9;1-8(2)9-4-3-5-11-10(9)6-7-12(11)13;1-5(2)7-3-6(11(12,13)14)4-8-9(7)17-10(15)16-8;1-6(2)8-3-7(11(12,13)14)4-9-10(8)16-5-15-9;1-5(2)7-3-6(10(11,12)13)4-8-9(7)15-16-14-8;1-5(2)7-3-6(10(11,12)13)4-8(14)9(7)15;1-7(2)8-3-5-9(6-4-8)10-11-13-14-12-10;1-7(2)8-4-3-5-9(6-8)10-11-13-14-12-10;1-6(2)7-3-4-8-9(5-7)13-12-10(8)11;1-6(2)7-4-3-5-8-9(7)13-12-10(8)11/h3-10H,1-2H3,(H,22,23,24);4*3-9H,1-2H3,(H,13,14);3-5,8,12H,6-7,13H2,1-2H3;3-5,8,12-13H,6-7H2,1-2H3;3-5H,1-2H3,(H3,15,16,17);3-6H,1-2H3,(H,15,16);3-5H,1-2H3,(H,14,15,16);3-5H,14-15H2,1-2H3;2*3-7H,1-2H3,(H,11,12,13,14);2*3-6H,1-2H3,(H2,11,12)
InChIKeyODSNJQFMBSYBFI-UHFFFAOYSA-N
MW3108.74 g/mol
LogP45.65
Rot. Bonds23

About N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide;6-propan-2-yl-1,2-benzoxazol-3-amine;7-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;4-propan-2-yl-2,3-dihydro-1H-inden-1-ol;2-(3-propan-2-ylphenyl)-1H-imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(3-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-1H-pyrazole;5-(3-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-yl-5-(trifluoromethyl)benzene-1,2-diamine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-2H-benzotriazole

N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide;6-propan-2-yl-1,2-benzoxazol-3-amine;7-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;4-propan-2-yl-2,3-dihydro-1H-inden-1-ol;2-(3-propan-2-ylphenyl)-1H-imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(3-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-1H-pyrazole;5-(3-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-yl-5-(trifluoromethyl)benzene-1,2-diamine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-2H-benzotriazole (PubChem CID 159964280) has the molecular formula C172H198F15N33O4S and a molecular weight of 3108.74 g/mol. Its IUPAC name is N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide;6-propan-2-yl-1,2-benzoxazol-3-amine;7-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;4-propan-2-yl-2,3-dihydro-1H-inden-1-ol;2-(3-propan-2-ylphenyl)-1H-imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(3-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-1H-pyrazole;5-(3-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-yl-5-(trifluoromethyl)benzene-1,2-diamine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-2H-benzotriazole.

Molecular Properties

Compound NameN-(6-propan-2-yl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide;6-propan-2-yl-1,2-benzoxazol-3-amine;7-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;4-propan-2-yl-2,3-dihydro-1H-inden-1-ol;2-(3-propan-2-ylphenyl)-1H-imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(3-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-1H-pyrazole;5-(3-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-yl-5-(trifluoromethyl)benzene-1,2-diamine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-2H-benzotriazole
PubChem CID159964280
Molecular FormulaC172H198F15N33O4S
Molecular Weight3108.74 g/mol
Exact Mass3106.58
IUPAC NameN-(6-propan-2-yl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide;6-propan-2-yl-1,2-benzoxazol-3-amine;7-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;4-propan-2-yl-2,3-dihydro-1H-inden-1-ol;2-(3-propan-2-ylphenyl)-1H-imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(3-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-1H-pyrazole;5-(3-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-yl-5-(trifluoromethyl)benzene-1,2-diamine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-2H-benzotriazole
SMILESCC(C)c1cc(C(F)(F)F)cc(N)c1N.CC(C)c1cc(C(F)(F)F)cc2[nH]c(N)nc12.CC(C)c1cc(C(F)(F)F)cc2[nH]cnc12.CC(C)c1cc(C(F)(F)F)cc2n[nH]nc12.CC(C)c1ccc(-c2cn[nH]c2)cc1.CC(C)c1ccc(-c2ncc[nH]2)cc1.CC(C)c1ccc(-c2nn[nH]n2)cc1.CC(C)c1ccc2c(N)noc2c1.CC(C)c1ccc2c(c1)CC(N)C2.CC(C)c1ccc2nc(NC(=O)c3cccc(C(F)(F)F)c3)sc2c1.CC(C)c1cccc(-c2cn[nH]c2)c1.CC(C)c1cccc(-c2ncc[nH]2)c1.CC(C)c1cccc(-c2nn[nH]n2)c1.CC(C)c1cccc2c(N)noc12.CC(C)c1cccc2c1CCC2O
InChIInChI=1S/C18H15F3N2OS.4C12H14N2.C12H17N.C12H16O.C11H12F3N3.C11H11F3N2.C10H10F3N3.C10H13F3N2.2C10H12N4.2C10H12N2O/c1-10(2)11-6-7-14-15(9-11)25-17(22-14)23-16(24)12-4-3-5-13(8-12)18(19,20)21;1-9(2)10-3-5-11(6-4-10)12-7-13-14-8-12;1-9(2)10-3-5-11(6-4-10)12-13-7-8-14-12;1-9(2)10-4-3-5-11(6-10)12-7-13-14-8-12;1-9(2)10-4-3-5-11(8-10)12-13-6-7-14-12;1-8(2)9-3-4-10-6-12(13)7-11(10)5-9;1-8(2)9-4-3-5-11-10(9)6-7-12(11)13;1-5(2)7-3-6(11(12,13)14)4-8-9(7)17-10(15)16-8;1-6(2)8-3-7(11(12,13)14)4-9-10(8)16-5-15-9;1-5(2)7-3-6(10(11,12)13)4-8-9(7)15-16-14-8;1-5(2)7-3-6(10(11,12)13)4-8(14)9(7)15;1-7(2)8-3-5-9(6-4-8)10-11-13-14-12-10;1-7(2)8-4-3-5-9(6-8)10-11-13-14-12-10;1-6(2)7-3-4-8-9(5-7)13-12-10(8)11;1-6(2)7-4-3-5-8-9(7)13-12-10(8)11/h3-10H,1-2H3,(H,22,23,24);4*3-9H,1-2H3,(H,13,14);3-5,8,12H,6-7,13H2,1-2H3;3-5,8,12-13H,6-7H2,1-2H3;3-5H,1-2H3,(H3,15,16,17);3-6H,1-2H3,(H,15,16);3-5H,1-2H3,(H,14,15,16);3-5H,14-15H2,1-2H3;2*3-7H,1-2H3,(H,11,12,13,14);2*3-6H,1-2H3,(H2,11,12)
InChIKeyODSNJQFMBSYBFI-UHFFFAOYSA-N
XLogP45.65
TPSA592.97 Ų
H-Bond Donors17
H-Bond Acceptors28
Rotatable Bonds23
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003108.74
LogP ≤ 545.65
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide;6-propan-2-yl-1,2-benzoxazol-3-amine;7-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;4-propan-2-yl-2,3-dihydro-1H-inden-1-ol;2-(3-propan-2-ylphenyl)-1H-imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(3-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-1H-pyrazole;5-(3-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-yl-5-(trifluoromethyl)benzene-1,2-diamine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-2H-benzotriazole with MolForge

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Launch Full Analysis

Related Compounds

7-chloro-4-propan-2-yl-1H-indole;cumene;7-fluoro-4-propan-2-yl-1H-indole;7-methyl-4-propan-2-yl-1H-indole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-1,2-benzoxazol-3-amine;7-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;4-propan-2-yl-2,3-dihydro-1H-inden-1-ol;2-(3-propan-2-ylphenyl)-1H-imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;5-(4-propan-2-ylphenyl)-1H-imidazole;4-(3-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-1H-pyrazole;5-(3-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-2H-benzotriazole
CID 157923535
6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,2-benzoxazole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indazole;5-tert-butyl-1H-indole;6-tert-butylquinoxaline
CID 158005789
6-tert-butyl-1H-benzimidazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,2-benzoxazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,7-naphthyridine;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,7-naphthyridine;3-tert-butyl-2,6-naphthyridine;3-tert-butyl-2,7-naphthyridine;6-tert-butyl-1,7-naphthyridine;7-tert-butyl-1,6-naphthyridine;2-tert-butylquinazoline;7-tert-butylquinazoline;6-methylquinazoline
CID 160211399
6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,2-benzoxazole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indazole;5-tert-butyl-1H-indole;6-tert-butylquinoxaline;methane
CID 161554520

Frequently Asked Questions

What is the IUPAC name of N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide;6-propan-2-yl-1,2-benzoxazol-3-amine;7-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;4-propan-2-yl-2,3-dihydro-1H-inden-1-ol;2-(3-propan-2-ylphenyl)-1H-imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(3-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-1H-pyrazole;5-(3-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-yl-5-(trifluoromethyl)benzene-1,2-diamine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-2H-benzotriazole?
The IUPAC name of N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide;6-propan-2-yl-1,2-benzoxazol-3-amine;7-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;4-propan-2-yl-2,3-dihydro-1H-inden-1-ol;2-(3-propan-2-ylphenyl)-1H-imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(3-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-1H-pyrazole;5-(3-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-yl-5-(trifluoromethyl)benzene-1,2-diamine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-2H-benzotriazole (CID 159964280) is N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide;6-propan-2-yl-1,2-benzoxazol-3-amine;7-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;4-propan-2-yl-2,3-dihydro-1H-inden-1-ol;2-(3-propan-2-ylphenyl)-1H-imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(3-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-1H-pyrazole;5-(3-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-yl-5-(trifluoromethyl)benzene-1,2-diamine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-2H-benzotriazole.
What is the SMILES notation for N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide;6-propan-2-yl-1,2-benzoxazol-3-amine;7-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;4-propan-2-yl-2,3-dihydro-1H-inden-1-ol;2-(3-propan-2-ylphenyl)-1H-imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(3-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-1H-pyrazole;5-(3-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-yl-5-(trifluoromethyl)benzene-1,2-diamine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-2H-benzotriazole?
The canonical SMILES for N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide;6-propan-2-yl-1,2-benzoxazol-3-amine;7-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;4-propan-2-yl-2,3-dihydro-1H-inden-1-ol;2-(3-propan-2-ylphenyl)-1H-imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(3-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-1H-pyrazole;5-(3-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-yl-5-(trifluoromethyl)benzene-1,2-diamine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-2H-benzotriazole is CC(C)c1cc(C(F)(F)F)cc(N)c1N.CC(C)c1cc(C(F)(F)F)cc2[nH]c(N)nc12.CC(C)c1cc(C(F)(F)F)cc2[nH]cnc12.CC(C)c1cc(C(F)(F)F)cc2n[nH]nc12.CC(C)c1ccc(-c2cn[nH]c2)cc1.CC(C)c1ccc(-c2ncc[nH]2)cc1.CC(C)c1ccc(-c2nn[nH]n2)cc1.CC(C)c1ccc2c(N)noc2c1.CC(C)c1ccc2c(c1)CC(N)C2.CC(C)c1ccc2nc(NC(=O)c3cccc(C(F)(F)F)c3)sc2c1.CC(C)c1cccc(-c2cn[nH]c2)c1.CC(C)c1cccc(-c2ncc[nH]2)c1.CC(C)c1cccc(-c2nn[nH]n2)c1.CC(C)c1cccc2c(N)noc12.CC(C)c1cccc2c1CCC2O.
What is the InChIKey of N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide;6-propan-2-yl-1,2-benzoxazol-3-amine;7-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;4-propan-2-yl-2,3-dihydro-1H-inden-1-ol;2-(3-propan-2-ylphenyl)-1H-imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(3-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-1H-pyrazole;5-(3-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-yl-5-(trifluoromethyl)benzene-1,2-diamine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-2H-benzotriazole?
The InChIKey is ODSNJQFMBSYBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2OS.4C12H14N2.C12H17N.C12H16O.C11H12F3N3.C11H11F3N2.C10H10F3N3.C10H13F3N2.2C10H12N4.2C10H12N2O/c1-10(2)11-6-7-14-15(9-11)25-17(22-14)23-16(24)12-4-3-5-13(8-12)18(19,20)21;1-9(2)10-3-5-11(6-4-10)12-7-13-14-8-12;1-9(2)10-3-5-11(6-4-10)12-13-7-8-14-12;1-9(2)10-4-3-5-11(6-10)12-7-13-14-8-12;1-9(2)10-4-3-5-11(8-10)12-13-6-7-14-12;1-8(2)9-3-4-10-6-12(13)7-11(10)5-9;1-8(2)9-4-3-5-11-10(9)6-7-12(11)13;1-5(2)7-3-6(11(12,13)14)4-8-9(7)17-10(15)16-8;1-6(2)8-3-7(11(12,13)14)4-9-10(8)16-5-15-9;1-5(2)7-3-6(10(11,12)13)4-8-9(7)15-16-14-8;1-5(2)7-3-6(10(11,12)13)4-8(14)9(7)15;1-7(2)8-3-5-9(6-4-8)10-11-13-14-12-10;1-7(2)8-4-3-5-9(6-8)10-11-13-14-12-10;1-6(2)7-3-4-8-9(5-7)13-12-10(8)11;1-6(2)7-4-3-5-8-9(7)13-12-10(8)11/h3-10H,1-2H3,(H,22,23,24);4*3-9H,1-2H3,(H,13,14);3-5,8,12H,6-7,13H2,1-2H3;3-5,8,12-13H,6-7H2,1-2H3;3-5H,1-2H3,(H3,15,16,17);3-6H,1-2H3,(H,15,16);3-5H,1-2H3,(H,14,15,16);3-5H,14-15H2,1-2H3;2*3-7H,1-2H3,(H,11,12,13,14);2*3-6H,1-2H3,(H2,11,12).
What are the key properties of N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide;6-propan-2-yl-1,2-benzoxazol-3-amine;7-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;4-propan-2-yl-2,3-dihydro-1H-inden-1-ol;2-(3-propan-2-ylphenyl)-1H-imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(3-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-1H-pyrazole;5-(3-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-yl-5-(trifluoromethyl)benzene-1,2-diamine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-2H-benzotriazole?
N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide;6-propan-2-yl-1,2-benzoxazol-3-amine;7-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;4-propan-2-yl-2,3-dihydro-1H-inden-1-ol;2-(3-propan-2-ylphenyl)-1H-imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(3-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-1H-pyrazole;5-(3-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-yl-5-(trifluoromethyl)benzene-1,2-diamine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-2H-benzotriazole has a molecular weight of 3108.74 g/mol, XLogP of 45.65, 23 rotatable bonds, 17 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide;6-propan-2-yl-1,2-benzoxazol-3-amine;7-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-2,3-dihydro-1H-inden-2-amine;4-propan-2-yl-2,3-dihydro-1H-inden-1-ol;2-(3-propan-2-ylphenyl)-1H-imidazole;2-(4-propan-2-ylphenyl)-1H-imidazole;4-(3-propan-2-ylphenyl)-1H-pyrazole;4-(4-propan-2-ylphenyl)-1H-pyrazole;5-(3-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-yl-5-(trifluoromethyl)benzene-1,2-diamine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazol-2-amine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-2H-benzotriazole is sourced from PubChem (CID 159964280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).