5-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-3H-indole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;2-methyl-1-propan-2-ylbenzimidazole;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;1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole

C159H189Cl2F5N20O4S3 — CID 161306175

IUPAC5-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-3H-indole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;2-methyl-1-propan-2-ylbenzimidazole;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;1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole
SMILESCC(C)C1=NC=CC1.CC(C)C1=Nc2ccc(Cl)cc2C1.CC(C)C1=Nc2cccc(F)c2C1.CC(C)C1=Nc2ccccc2C1.CC(C)c1nc2cc(C(F)(F)F)ccc2o1.CC(C)c1nc2cc(Cl)ccc2s1.CC(C)c1nc2ccc(F)cc2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)n1cnc2ccccc21.CC(C)n1cncn1.Cc1ccc2c(c1)N=C(C(C)C)C2.Cc1ccc2nc(C(C)C)oc2c1.Cc1cccc2c1CC(C(C)C)=N2.Cc1cnc(C(C)C)s1.Cc1nc2ccccc2n1C(C)C
InChIInChI=1S/2C12H15N.C11H12ClN.C11H10F3NO.C11H12FN.C11H14N2.C11H13NO.C11H13N.C10H10ClNS.C10H10FNO.C10H12N2.C10H11NO.C10H11NS.C7H11NS.C7H11N.C5H9N3/c1-8(2)11-7-10-5-4-9(3)6-12(10)13-11;1-8(2)12-7-10-9(3)5-4-6-11(10)13-12;1-7(2)11-6-8-5-9(12)3-4-10(8)13-11;1-6(2)10-15-8-5-7(11(12,13)14)3-4-9(8)16-10;1-7(2)11-6-8-9(12)4-3-5-10(8)13-11;1-8(2)13-9(3)12-10-6-4-5-7-11(10)13;1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-6(2)10-12-8-5-7(11)3-4-9(8)13-10;1-6(2)10-12-8-4-3-7(11)5-9(8)13-10;1-8(2)12-7-11-9-5-3-4-6-10(9)12;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-5(2)7-8-4-6(3)9-7;1-6(2)7-4-3-5-8-7;1-5(2)8-4-6-3-7-8/h2*4-6,8H,7H2,1-3H3;3-5,7H,6H2,1-2H3;3-6H,1-2H3;3-5,7H,6H2,1-2H3;4-8H,1-3H3;4-7H,1-3H3;3-6,8H,7H2,1-2H3;2*3-6H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;4-5H,1-3H3;3,5-6H,4H2,1-2H3;3-5H,1-2H3
InChIKeyVIGSKBUTCHUVHU-UHFFFAOYSA-N
MW2706.49 g/mol
LogP48.01
Rot. Bonds16

About 5-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-3H-indole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;2-methyl-1-propan-2-ylbenzimidazole;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;1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole

5-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-3H-indole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;2-methyl-1-propan-2-ylbenzimidazole;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;1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole (PubChem CID 161306175) has the molecular formula C159H189Cl2F5N20O4S3 and a molecular weight of 2706.49 g/mol. Its IUPAC name is 5-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-3H-indole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;2-methyl-1-propan-2-ylbenzimidazole;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;1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-3H-indole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;2-methyl-1-propan-2-ylbenzimidazole;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;1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole
PubChem CID161306175
Molecular FormulaC159H189Cl2F5N20O4S3
Molecular Weight2706.49 g/mol
Exact Mass2703.37
IUPAC Name5-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-3H-indole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;2-methyl-1-propan-2-ylbenzimidazole;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;1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole
SMILESCC(C)C1=NC=CC1.CC(C)C1=Nc2ccc(Cl)cc2C1.CC(C)C1=Nc2cccc(F)c2C1.CC(C)C1=Nc2ccccc2C1.CC(C)c1nc2cc(C(F)(F)F)ccc2o1.CC(C)c1nc2cc(Cl)ccc2s1.CC(C)c1nc2ccc(F)cc2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)n1cnc2ccccc21.CC(C)n1cncn1.Cc1ccc2c(c1)N=C(C(C)C)C2.Cc1ccc2nc(C(C)C)oc2c1.Cc1cccc2c1CC(C(C)C)=N2.Cc1cnc(C(C)C)s1.Cc1nc2ccccc2n1C(C)C
InChIInChI=1S/2C12H15N.C11H12ClN.C11H10F3NO.C11H12FN.C11H14N2.C11H13NO.C11H13N.C10H10ClNS.C10H10FNO.C10H12N2.C10H11NO.C10H11NS.C7H11NS.C7H11N.C5H9N3/c1-8(2)11-7-10-5-4-9(3)6-12(10)13-11;1-8(2)12-7-10-9(3)5-4-6-11(10)13-12;1-7(2)11-6-8-5-9(12)3-4-10(8)13-11;1-6(2)10-15-8-5-7(11(12,13)14)3-4-9(8)16-10;1-7(2)11-6-8-9(12)4-3-5-10(8)13-11;1-8(2)13-9(3)12-10-6-4-5-7-11(10)13;1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-6(2)10-12-8-5-7(11)3-4-9(8)13-10;1-6(2)10-12-8-4-3-7(11)5-9(8)13-10;1-8(2)12-7-11-9-5-3-4-6-10(9)12;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-5(2)7-8-4-6(3)9-7;1-6(2)7-4-3-5-8-7;1-5(2)8-4-6-3-7-8/h2*4-6,8H,7H2,1-3H3;3-5,7H,6H2,1-2H3;3-6H,1-2H3;3-5,7H,6H2,1-2H3;4-8H,1-3H3;4-7H,1-3H3;3-6,8H,7H2,1-2H3;2*3-6H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;4-5H,1-3H3;3,5-6H,4H2,1-2H3;3-5H,1-2H3
InChIKeyVIGSKBUTCHUVHU-UHFFFAOYSA-N
XLogP48.01
TPSA283.30 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds16
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002706.49
LogP ≤ 548.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 5-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-3H-indole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;2-methyl-1-propan-2-ylbenzimidazole;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;1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole with MolForge

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Launch Full Analysis

Related Compounds

3-[(2E)-5-chloro-2-[(E)-3-[6-chloro-1-ethyl-3-(3-sulfonatopropyl)-5-(trifluoromethyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-6-(trifluoromethyl)benzimidazol-1-yl]propane-1-sulfonate;3-[(2Z)-5-chloro-2-[[5-chloro-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;4-[2-[2-[[5-chloro-3-(3-sulfonatopropyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-5-methyl-1,3-benzoxazol-3-yl]butane-2-sulfonate
CID 54735723
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
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
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
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
3-benzyl-2-[(E)-2-[4-[(E)-2-(3-benzyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-1,4-diazepan-1-yl]ethenyl]-1,3-benzothiazol-3-ium;1-butyl-2-[2-[4-[2-(1-butyl-5,6-dichloro-3,3-dimethylindol-2-ylidene)ethylidene]piperazine-1,4-diium-1-ylidene]ethylidene]-5,6-dichloro-3,3-dimethylindole;3-butyl-2-[(E)-2-[4-[(E)-2-[3-butyl-1-ethyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]ethenyl]piperazin-1-yl]ethenyl]-1-ethyl-5-(trifluoromethyl)benzimidazol-1-ium;3-butyl-1-ethyl-2-[(E)-2-piperidin-1-ylethenyl]-5-(trifluoromethyl)benzimidazol-1-ium;3-propyl-2-[(E)-2-[4-[(E)-2-(3-propyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]piperazin-1-yl]ethenyl]-1,3-benzoxazol-3-ium
CID 161064976
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
2-[3-(10b,10c-Dihydropyren-4-yl)-5-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-[4-[3,5-bis[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-naphthalen-1-ylphenyl]-1,3-benzothiazole;2-[3-[4-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-quinolin-5-ylphenyl]-1,3-benzoxazole
CID 161805195
5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;5-methyl-2-propan-2-yl-1,3-benzothiazole;2-methyl-1-propan-2-ylindole;4-methyl-2-propan-2-yl-3H-indole;1-propan-2-ylimidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrole
CID 157441986
7-Chloro-4-methylquinoline;4,5-dimethyl-2-phenyl-1,3-oxazole;4,5-dimethyl-2-phenyl-1,3-thiazole;1-fluoro-2-methylbenzene;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methyl-2-phenylbenzimidazole;1-methyl-4-phenylpiperazine;1-methyl-4-phenylpiperidine;2-methylpyridine
CID 157662673
5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-benzothiazole;2-methyl-1-propan-2-ylindole;1-propan-2-ylimidazole;5-propan-2-yl-4H-imidazole;1-propan-2-ylindole;1-propan-2-ylpyrrole
CID 157952313
2-Methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1-naphthalen-1-ylbenzimidazole;2-methyl-1-naphthalen-2-ylbenzimidazole;2-methyl-1-phenylbenzimidazole;2-methyl-1-phenylimidazole;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-3-phenylphenanthro[9,10-d]imidazole
CID 159213736

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-3H-indole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;2-methyl-1-propan-2-ylbenzimidazole;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;1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-3H-indole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;2-methyl-1-propan-2-ylbenzimidazole;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;1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole (CID 161306175) is 5-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-3H-indole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;2-methyl-1-propan-2-ylbenzimidazole;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;1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-3H-indole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;2-methyl-1-propan-2-ylbenzimidazole;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;1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-3H-indole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;2-methyl-1-propan-2-ylbenzimidazole;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;1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole is CC(C)C1=NC=CC1.CC(C)C1=Nc2ccc(Cl)cc2C1.CC(C)C1=Nc2cccc(F)c2C1.CC(C)C1=Nc2ccccc2C1.CC(C)c1nc2cc(C(F)(F)F)ccc2o1.CC(C)c1nc2cc(Cl)ccc2s1.CC(C)c1nc2ccc(F)cc2o1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)n1cnc2ccccc21.CC(C)n1cncn1.Cc1ccc2c(c1)N=C(C(C)C)C2.Cc1ccc2nc(C(C)C)oc2c1.Cc1cccc2c1CC(C(C)C)=N2.Cc1cnc(C(C)C)s1.Cc1nc2ccccc2n1C(C)C.
What is the InChIKey of 5-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-3H-indole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;2-methyl-1-propan-2-ylbenzimidazole;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;1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole?
The InChIKey is VIGSKBUTCHUVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H15N.C11H12ClN.C11H10F3NO.C11H12FN.C11H14N2.C11H13NO.C11H13N.C10H10ClNS.C10H10FNO.C10H12N2.C10H11NO.C10H11NS.C7H11NS.C7H11N.C5H9N3/c1-8(2)11-7-10-5-4-9(3)6-12(10)13-11;1-8(2)12-7-10-9(3)5-4-6-11(10)13-12;1-7(2)11-6-8-5-9(12)3-4-10(8)13-11;1-6(2)10-15-8-5-7(11(12,13)14)3-4-9(8)16-10;1-7(2)11-6-8-9(12)4-3-5-10(8)13-11;1-8(2)13-9(3)12-10-6-4-5-7-11(10)13;1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-6(2)10-12-8-5-7(11)3-4-9(8)13-10;1-6(2)10-12-8-4-3-7(11)5-9(8)13-10;1-8(2)12-7-11-9-5-3-4-6-10(9)12;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-5(2)7-8-4-6(3)9-7;1-6(2)7-4-3-5-8-7;1-5(2)8-4-6-3-7-8/h2*4-6,8H,7H2,1-3H3;3-5,7H,6H2,1-2H3;3-6H,1-2H3;3-5,7H,6H2,1-2H3;4-8H,1-3H3;4-7H,1-3H3;3-6,8H,7H2,1-2H3;2*3-6H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;4-5H,1-3H3;3,5-6H,4H2,1-2H3;3-5H,1-2H3.
What are the key properties of 5-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-3H-indole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;2-methyl-1-propan-2-ylbenzimidazole;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;1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole?
5-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-3H-indole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;2-methyl-1-propan-2-ylbenzimidazole;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;1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole has a molecular weight of 2706.49 g/mol, XLogP of 48.01, 16 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-3H-indole;6-fluoro-2-propan-2-yl-1,3-benzoxazole;4-fluoro-2-propan-2-yl-3H-indole;2-methyl-1-propan-2-ylbenzimidazole;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;1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole is sourced from PubChem (CID 161306175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).