6-chloro-2-propan-2-yl-1,3-benzothiazole;methane;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);5-methyl-2-propan-2-yl-1,3-benzoxazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole

C175H213ClF3N17O5S6 — CID 158364458

IUPAC6-chloro-2-propan-2-yl-1,3-benzothiazole;methane;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);5-methyl-2-propan-2-yl-1,3-benzoxazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole
SMILESC.CC(C)C1=NC=CC1.CC(C)C1=Nc2ccccc2C1.CC(C)c1nc2cc(C(F)(F)F)ccc2s1.CC(C)c1nc2ccc(Cl)cc2s1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1ncco1.CC(C)c1nccs1.Cc1ccc2c(c1)CC(C(C)C)=N2.Cc1ccc2c(c1)N=C(C(C)C)C2.Cc1ccc2nc(C(C)C)oc2c1.Cc1ccc2nc(C(C)C)oc2c1.Cc1ccc2oc(C(C)C)nc2c1.Cc1ccc2sc(C(C)C)nc2c1.Cc1ccc2sc(C(C)C)nc2c1.Cc1cccc2c1CC(C(C)C)=N2.Cc1cccc2c1CC(C(C)C)=N2
InChIInChI=1S/4C12H15N.C11H10F3NS.3C11H13NO.2C11H13NS.C11H13N.C10H10ClNS.C10H11NO.C10H11NS.C7H11N.C6H9NO.C6H9NS.CH4/c1-8(2)12-7-10-6-9(3)4-5-11(10)13-12;1-8(2)11-7-10-5-4-9(3)6-12(10)13-11;2*1-8(2)12-7-10-9(3)5-4-6-11(10)13-12;1-6(2)10-15-8-5-7(11(12,13)14)3-4-9(8)16-10;1-7(2)11-12-9-6-8(3)4-5-10(9)13-11;2*1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;2*1-7(2)11-12-9-6-8(3)4-5-10(9)13-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-6(2)10-12-8-4-3-7(11)5-9(8)13-10;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)7-4-3-5-8-7;2*1-5(2)6-7-3-4-8-6;/h4*4-6,8H,7H2,1-3H3;3-6H,1-2H3;5*4-7H,1-3H3;3-6,8H,7H2,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;3,5-6H,4H2,1-2H3;2*3-5H,1-2H3;1H4
InChIKeyGTVYMOWUHMATQC-UHFFFAOYSA-N
MW2919.59 g/mol
LogP54.91
Rot. Bonds17

About 6-chloro-2-propan-2-yl-1,3-benzothiazole;methane;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);5-methyl-2-propan-2-yl-1,3-benzoxazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole

6-chloro-2-propan-2-yl-1,3-benzothiazole;methane;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);5-methyl-2-propan-2-yl-1,3-benzoxazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole (PubChem CID 158364458) has the molecular formula C175H213ClF3N17O5S6 and a molecular weight of 2919.59 g/mol. Its IUPAC name is 6-chloro-2-propan-2-yl-1,3-benzothiazole;methane;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);5-methyl-2-propan-2-yl-1,3-benzoxazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-chloro-2-propan-2-yl-1,3-benzothiazole;methane;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);5-methyl-2-propan-2-yl-1,3-benzoxazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole
PubChem CID158364458
Molecular FormulaC175H213ClF3N17O5S6
Molecular Weight2919.59 g/mol
Exact Mass2916.49
IUPAC Name6-chloro-2-propan-2-yl-1,3-benzothiazole;methane;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);5-methyl-2-propan-2-yl-1,3-benzoxazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole
SMILESC.CC(C)C1=NC=CC1.CC(C)C1=Nc2ccccc2C1.CC(C)c1nc2cc(C(F)(F)F)ccc2s1.CC(C)c1nc2ccc(Cl)cc2s1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1ncco1.CC(C)c1nccs1.Cc1ccc2c(c1)CC(C(C)C)=N2.Cc1ccc2c(c1)N=C(C(C)C)C2.Cc1ccc2nc(C(C)C)oc2c1.Cc1ccc2nc(C(C)C)oc2c1.Cc1ccc2oc(C(C)C)nc2c1.Cc1ccc2sc(C(C)C)nc2c1.Cc1ccc2sc(C(C)C)nc2c1.Cc1cccc2c1CC(C(C)C)=N2.Cc1cccc2c1CC(C(C)C)=N2
InChIInChI=1S/4C12H15N.C11H10F3NS.3C11H13NO.2C11H13NS.C11H13N.C10H10ClNS.C10H11NO.C10H11NS.C7H11N.C6H9NO.C6H9NS.CH4/c1-8(2)12-7-10-6-9(3)4-5-11(10)13-12;1-8(2)11-7-10-5-4-9(3)6-12(10)13-11;2*1-8(2)12-7-10-9(3)5-4-6-11(10)13-12;1-6(2)10-15-8-5-7(11(12,13)14)3-4-9(8)16-10;1-7(2)11-12-9-6-8(3)4-5-10(9)13-11;2*1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;2*1-7(2)11-12-9-6-8(3)4-5-10(9)13-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-6(2)10-12-8-4-3-7(11)5-9(8)13-10;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)7-4-3-5-8-7;2*1-5(2)6-7-3-4-8-6;/h4*4-6,8H,7H2,1-3H3;3-6H,1-2H3;5*4-7H,1-3H3;3-6,8H,7H2,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;3,5-6H,4H2,1-2H3;2*3-5H,1-2H3;1H4
InChIKeyGTVYMOWUHMATQC-UHFFFAOYSA-N
XLogP54.91
TPSA281.65 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds17
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002919.59
LogP ≤ 554.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 6-chloro-2-propan-2-yl-1,3-benzothiazole;methane;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);5-methyl-2-propan-2-yl-1,3-benzoxazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole with MolForge

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Launch Full Analysis

Related Compounds

5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;5-chloro-2-propan-2-yl-1,3-benzothiazole;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);6-methyl-2-propan-2-yl-1,3-benzothiazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole
CID 157280134
5-chloro-2-propan-2-yl-1,3-benzothiazole;6-chloro-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-1,3-benzoxazole;4-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole
CID 157953012
methane;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);6-methyl-2-propan-2-yl-1,3-benzothiazole;5-methyl-2-propan-2-yl-1,3-benzoxazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole
CID 158586125
5-chloro-2-propan-2-yl-1,3-benzothiazole;6-chloro-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-1,3-benzoxazole;4-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole
CID 158733834
CID 158754126
CID 158754126
1,3-Benzothiazol-2-yl-(4,5-dimethylfuran-3-yl)-dimethylsilane;dimethyl-(7-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)silane;dimethyl-thiophen-3-yl-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]silane;ethyl-methyl-(5-methylthiophen-3-yl)-(6-phenyl-1,3-benzoxazol-2-yl)silane;(5-ethylthiophen-3-yl)-dimethyl-[6-(4-propan-2-ylphenyl)-1,3-benzoxazol-2-yl]silane;furan-3-yl-dimethyl-(6-methyl-1,3-benzothiazol-2-yl)silane;methyl-(5-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)-pyrrol-1-ylsilane;methyl-(5-methyl-1,3-benzothiazol-2-yl)-(5-methylthiophen-3-yl)-phenylsilane
CID 159110073
5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;5-chloro-2-propan-2-yl-1,3-benzothiazole;6-chloro-2-propan-2-yl-1,3-benzothiazole;4-fluoro-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-benzothiazole;5-methyl-2-propan-2-yl-1,3-benzoxazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);4-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-4H-imidazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole
CID 160092685
1,3-Benzothiazol-2-yl-(4,5-dimethylfuran-3-yl)-dimethylsilane;dimethyl-(7-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)silane;dimethyl-thiophen-3-yl-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]silane;ethyl-methyl-(5-methylthiophen-3-yl)-(6-phenyl-1,3-benzoxazol-2-yl)silane;(5-ethylthiophen-3-yl)-dimethyl-(6-propan-2-yl-1,3-benzoxazol-2-yl)silane;furan-3-yl-dimethyl-(6-methyl-1,3-benzothiazol-2-yl)silane;methyl-(5-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)-pyrrol-1-ylsilane;methyl-(5-methyl-1,3-benzothiazol-2-yl)-(5-methylthiophen-3-yl)-phenylsilane
CID 160103034
6-Tert-butyl-2-[4-(6-tert-butyl-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole;6-tert-butyl-2-[4-(6-tert-butyl-1,3-benzoxazol-2-yl)-2,5-diphenylphenyl]-1,3-benzoxazole;2-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)phenyl]-5,6-dimethyl-1,3-benzoxazole;2-[2,5-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-6-methyl-1,3-benzothiazole;2-[2,5-dimethyl-4-(6-phenyl-1,3-benzothiazol-2-yl)phenyl]-6-phenyl-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole;6-methyl-2-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,3-benzoxazole;6-methyl-2-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;6-phenyl-2-[4-(6-phenyl-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole;6-(trifluoromethyl)-2-[4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]-1,3-benzoxazole
CID 160473332
5-chloro-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-1,3-benzoxazole;2-methyl-1-propan-2-ylindole;4-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylindole;2-propan-2-yl-3H-indole;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole
CID 160590056
6-chloro-2-propan-2-yl-1,3-benzothiazole;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);6-methyl-2-propan-2-yl-1,3-benzothiazole;5-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-1,3-benzoxazole;7-methyl-2-propan-2-yl-1,3-benzoxazole;4-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole
CID 160938776
5-chloro-2-propan-2-yl-1,3-benzothiazole;6-chloro-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-benzothiazole;6-methyl-2-propan-2-yl-1,3-benzoxazole;4-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole
CID 161626646

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-propan-2-yl-1,3-benzothiazole;methane;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);5-methyl-2-propan-2-yl-1,3-benzoxazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole?
The IUPAC name of 6-chloro-2-propan-2-yl-1,3-benzothiazole;methane;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);5-methyl-2-propan-2-yl-1,3-benzoxazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole (CID 158364458) is 6-chloro-2-propan-2-yl-1,3-benzothiazole;methane;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);5-methyl-2-propan-2-yl-1,3-benzoxazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole.
What is the SMILES notation for 6-chloro-2-propan-2-yl-1,3-benzothiazole;methane;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);5-methyl-2-propan-2-yl-1,3-benzoxazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole?
The canonical SMILES for 6-chloro-2-propan-2-yl-1,3-benzothiazole;methane;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);5-methyl-2-propan-2-yl-1,3-benzoxazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole is C.CC(C)C1=NC=CC1.CC(C)C1=Nc2ccccc2C1.CC(C)c1nc2cc(C(F)(F)F)ccc2s1.CC(C)c1nc2ccc(Cl)cc2s1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1ncco1.CC(C)c1nccs1.Cc1ccc2c(c1)CC(C(C)C)=N2.Cc1ccc2c(c1)N=C(C(C)C)C2.Cc1ccc2nc(C(C)C)oc2c1.Cc1ccc2nc(C(C)C)oc2c1.Cc1ccc2oc(C(C)C)nc2c1.Cc1ccc2sc(C(C)C)nc2c1.Cc1ccc2sc(C(C)C)nc2c1.Cc1cccc2c1CC(C(C)C)=N2.Cc1cccc2c1CC(C(C)C)=N2.
What is the InChIKey of 6-chloro-2-propan-2-yl-1,3-benzothiazole;methane;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);5-methyl-2-propan-2-yl-1,3-benzoxazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole?
The InChIKey is GTVYMOWUHMATQC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H15N.C11H10F3NS.3C11H13NO.2C11H13NS.C11H13N.C10H10ClNS.C10H11NO.C10H11NS.C7H11N.C6H9NO.C6H9NS.CH4/c1-8(2)12-7-10-6-9(3)4-5-11(10)13-12;1-8(2)11-7-10-5-4-9(3)6-12(10)13-11;2*1-8(2)12-7-10-9(3)5-4-6-11(10)13-12;1-6(2)10-15-8-5-7(11(12,13)14)3-4-9(8)16-10;1-7(2)11-12-9-6-8(3)4-5-10(9)13-11;2*1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;2*1-7(2)11-12-9-6-8(3)4-5-10(9)13-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-6(2)10-12-8-4-3-7(11)5-9(8)13-10;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)7-4-3-5-8-7;2*1-5(2)6-7-3-4-8-6;/h4*4-6,8H,7H2,1-3H3;3-6H,1-2H3;5*4-7H,1-3H3;3-6,8H,7H2,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;3,5-6H,4H2,1-2H3;2*3-5H,1-2H3;1H4.
What are the key properties of 6-chloro-2-propan-2-yl-1,3-benzothiazole;methane;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);5-methyl-2-propan-2-yl-1,3-benzoxazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole?
6-chloro-2-propan-2-yl-1,3-benzothiazole;methane;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);5-methyl-2-propan-2-yl-1,3-benzoxazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole has a molecular weight of 2919.59 g/mol, XLogP of 54.91, 17 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-propan-2-yl-1,3-benzothiazole;methane;bis(5-methyl-2-propan-2-yl-1,3-benzothiazole);5-methyl-2-propan-2-yl-1,3-benzoxazole;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);bis(4-methyl-2-propan-2-yl-3H-indole);5-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole is sourced from PubChem (CID 158364458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).