4-chloro-2-propan-2-yl-1,3-benzothiazole;6-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-1,3-benzoxazole;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;5,6-dimethyl-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzothiazole;6-methoxy-2-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1,2-benzothiazole;2-methyl-5-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-isoindole;2-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazole

C169H186Cl3F6N17O4S10 — CID 159467085

IUPAC4-chloro-2-propan-2-yl-1,3-benzothiazole;6-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-1,3-benzoxazole;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;5,6-dimethyl-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzothiazole;6-methoxy-2-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1,2-benzothiazole;2-methyl-5-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-isoindole;2-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazole
SMILESCC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)CN=C2.CC(C)c1ccc2ncoc2c1.CC(C)c1nc2c(Cl)cccc2s1.CC(C)c1nc2c(F)cc(F)cc2s1.CC(C)c1nc2cc(Cl)ccc2o1.CC(C)c1nc2ccc(C(F)(F)F)cc2s1.CC(C)c1nc2ccc(Cl)cc2s1.CC(C)c1nc2ccc(F)cc2s1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC1=Nc2ccc(C(C)C)cc2C1.COc1ccc2nc(C(C)C)sc2c1.Cc1cc2nc(C(C)C)sc2cc1C.Cc1nc2ccc(C(C)C)cc2s1.Cc1nsc2ccc(C(C)C)cc12
InChIInChI=1S/C12H15NS.C12H15N.C11H10F3NS.C11H13NOS.2C11H13NS.C11H13N.C10H10ClNO.2C10H10ClNS.C10H9F2NS.C10H10FNS.C10H12N2.2C10H11NO.C10H11NS/c1-7(2)12-13-10-5-8(3)9(4)6-11(10)14-12;1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-6(2)10-15-8-4-3-7(11(12,13)14)5-9(8)16-10;1-7(2)11-12-9-5-4-8(13-3)6-10(9)14-11;1-7(2)9-4-5-11-10(6-9)8(3)12-13-11;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)9-3-4-10-6-12-7-11(10)5-9;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;1-6(2)10-12-9-7(11)4-3-5-8(9)13-10;1-5(2)10-13-9-7(12)3-6(11)4-8(9)14-10;1-6(2)10-12-8-4-3-7(11)5-9(8)13-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10/h5-7H,1-4H3;4-5,7-8H,6H2,1-3H3;3-6H,1-2H3;4-7H,1-3H3;2*4-7H,1-3H3;3-6,8H,7H2,1-2H3;3*3-6H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;3-7H,1-2H3,(H,11,12);3*3-7H,1-2H3
InChIKeyLVIAESYKFRVYAR-UHFFFAOYSA-N
MW3060.48 g/mol
LogP56.58
Rot. Bonds17

About 4-chloro-2-propan-2-yl-1,3-benzothiazole;6-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-1,3-benzoxazole;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;5,6-dimethyl-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzothiazole;6-methoxy-2-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1,2-benzothiazole;2-methyl-5-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-isoindole;2-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazole

4-chloro-2-propan-2-yl-1,3-benzothiazole;6-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-1,3-benzoxazole;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;5,6-dimethyl-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzothiazole;6-methoxy-2-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1,2-benzothiazole;2-methyl-5-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-isoindole;2-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazole (PubChem CID 159467085) has the molecular formula C169H186Cl3F6N17O4S10 and a molecular weight of 3060.48 g/mol. Its IUPAC name is 4-chloro-2-propan-2-yl-1,3-benzothiazole;6-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-1,3-benzoxazole;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;5,6-dimethyl-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzothiazole;6-methoxy-2-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1,2-benzothiazole;2-methyl-5-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-isoindole;2-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name4-chloro-2-propan-2-yl-1,3-benzothiazole;6-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-1,3-benzoxazole;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;5,6-dimethyl-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzothiazole;6-methoxy-2-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1,2-benzothiazole;2-methyl-5-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-isoindole;2-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazole
PubChem CID159467085
Molecular FormulaC169H186Cl3F6N17O4S10
Molecular Weight3060.48 g/mol
Exact Mass3056.11
IUPAC Name4-chloro-2-propan-2-yl-1,3-benzothiazole;6-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-1,3-benzoxazole;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;5,6-dimethyl-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzothiazole;6-methoxy-2-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1,2-benzothiazole;2-methyl-5-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-isoindole;2-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazole
SMILESCC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)CN=C2.CC(C)c1ccc2ncoc2c1.CC(C)c1nc2c(Cl)cccc2s1.CC(C)c1nc2c(F)cc(F)cc2s1.CC(C)c1nc2cc(Cl)ccc2o1.CC(C)c1nc2ccc(C(F)(F)F)cc2s1.CC(C)c1nc2ccc(Cl)cc2s1.CC(C)c1nc2ccc(F)cc2s1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC1=Nc2ccc(C(C)C)cc2C1.COc1ccc2nc(C(C)C)sc2c1.Cc1cc2nc(C(C)C)sc2cc1C.Cc1nc2ccc(C(C)C)cc2s1.Cc1nsc2ccc(C(C)C)cc12
InChIInChI=1S/C12H15NS.C12H15N.C11H10F3NS.C11H13NOS.2C11H13NS.C11H13N.C10H10ClNO.2C10H10ClNS.C10H9F2NS.C10H10FNS.C10H12N2.2C10H11NO.C10H11NS/c1-7(2)12-13-10-5-8(3)9(4)6-11(10)14-12;1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-6(2)10-15-8-4-3-7(11(12,13)14)5-9(8)16-10;1-7(2)11-12-9-5-4-8(13-3)6-10(9)14-11;1-7(2)9-4-5-11-10(6-9)8(3)12-13-11;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)9-3-4-10-6-12-7-11(10)5-9;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;1-6(2)10-12-9-7(11)4-3-5-8(9)13-10;1-5(2)10-13-9-7(12)3-6(11)4-8(9)14-10;1-6(2)10-12-8-4-3-7(11)5-9(8)13-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10/h5-7H,1-4H3;4-5,7-8H,6H2,1-3H3;3-6H,1-2H3;4-7H,1-3H3;2*4-7H,1-3H3;3-6,8H,7H2,1-2H3;3*3-6H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;3-7H,1-2H3,(H,11,12);3*3-7H,1-2H3
InChIKeyLVIAESYKFRVYAR-UHFFFAOYSA-N
XLogP56.58
TPSA269.62 Ų
H-Bond Donors1
H-Bond Acceptors30
Rotatable Bonds17
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003060.48
LogP ≤ 556.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1030

Analyze 4-chloro-2-propan-2-yl-1,3-benzothiazole;6-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-1,3-benzoxazole;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;5,6-dimethyl-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzothiazole;6-methoxy-2-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1,2-benzothiazole;2-methyl-5-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-isoindole;2-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-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
5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-(2-chlorophenyl)thiophene-2-carboxamide;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-(2,6-difluorophenyl)thiophene-2-carboxamide;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-(2-fluorophenyl)thiophene-2-carboxamide;N-(2-chlorophenyl)-5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)thiophene-2-carboxamide;N-(2,6-difluorophenyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2,6-difluorophenyl)-5-(6-methyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide;N-(2,6-difluorophenyl)-5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)thiophene-2-carboxamide;N-(2-fluorophenyl)-5-(6-methyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide;N-(2-fluorophenyl)-5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)thiophene-2-carboxamide
CID 159408841

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propan-2-yl-1,3-benzothiazole;6-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-1,3-benzoxazole;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;5,6-dimethyl-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzothiazole;6-methoxy-2-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1,2-benzothiazole;2-methyl-5-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-isoindole;2-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazole?
The IUPAC name of 4-chloro-2-propan-2-yl-1,3-benzothiazole;6-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-1,3-benzoxazole;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;5,6-dimethyl-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzothiazole;6-methoxy-2-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1,2-benzothiazole;2-methyl-5-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-isoindole;2-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazole (CID 159467085) is 4-chloro-2-propan-2-yl-1,3-benzothiazole;6-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-1,3-benzoxazole;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;5,6-dimethyl-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzothiazole;6-methoxy-2-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1,2-benzothiazole;2-methyl-5-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-isoindole;2-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazole.
What is the SMILES notation for 4-chloro-2-propan-2-yl-1,3-benzothiazole;6-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-1,3-benzoxazole;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;5,6-dimethyl-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzothiazole;6-methoxy-2-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1,2-benzothiazole;2-methyl-5-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-isoindole;2-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazole?
The canonical SMILES for 4-chloro-2-propan-2-yl-1,3-benzothiazole;6-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-1,3-benzoxazole;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;5,6-dimethyl-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzothiazole;6-methoxy-2-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1,2-benzothiazole;2-methyl-5-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-isoindole;2-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazole is CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)CN=C2.CC(C)c1ccc2ncoc2c1.CC(C)c1nc2c(Cl)cccc2s1.CC(C)c1nc2c(F)cc(F)cc2s1.CC(C)c1nc2cc(Cl)ccc2o1.CC(C)c1nc2ccc(C(F)(F)F)cc2s1.CC(C)c1nc2ccc(Cl)cc2s1.CC(C)c1nc2ccc(F)cc2s1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC1=Nc2ccc(C(C)C)cc2C1.COc1ccc2nc(C(C)C)sc2c1.Cc1cc2nc(C(C)C)sc2cc1C.Cc1nc2ccc(C(C)C)cc2s1.Cc1nsc2ccc(C(C)C)cc12.
What is the InChIKey of 4-chloro-2-propan-2-yl-1,3-benzothiazole;6-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-1,3-benzoxazole;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;5,6-dimethyl-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzothiazole;6-methoxy-2-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1,2-benzothiazole;2-methyl-5-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-isoindole;2-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazole?
The InChIKey is LVIAESYKFRVYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS.C12H15N.C11H10F3NS.C11H13NOS.2C11H13NS.C11H13N.C10H10ClNO.2C10H10ClNS.C10H9F2NS.C10H10FNS.C10H12N2.2C10H11NO.C10H11NS/c1-7(2)12-13-10-5-8(3)9(4)6-11(10)14-12;1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-6(2)10-15-8-4-3-7(11(12,13)14)5-9(8)16-10;1-7(2)11-12-9-5-4-8(13-3)6-10(9)14-11;1-7(2)9-4-5-11-10(6-9)8(3)12-13-11;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)9-3-4-10-6-12-7-11(10)5-9;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;1-6(2)10-12-9-7(11)4-3-5-8(9)13-10;1-5(2)10-13-9-7(12)3-6(11)4-8(9)14-10;1-6(2)10-12-8-4-3-7(11)5-9(8)13-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10/h5-7H,1-4H3;4-5,7-8H,6H2,1-3H3;3-6H,1-2H3;4-7H,1-3H3;2*4-7H,1-3H3;3-6,8H,7H2,1-2H3;3*3-6H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;3-7H,1-2H3,(H,11,12);3*3-7H,1-2H3.
What are the key properties of 4-chloro-2-propan-2-yl-1,3-benzothiazole;6-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-1,3-benzoxazole;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;5,6-dimethyl-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzothiazole;6-methoxy-2-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1,2-benzothiazole;2-methyl-5-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-isoindole;2-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazole?
4-chloro-2-propan-2-yl-1,3-benzothiazole;6-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-1,3-benzoxazole;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;5,6-dimethyl-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzothiazole;6-methoxy-2-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1,2-benzothiazole;2-methyl-5-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-isoindole;2-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazole has a molecular weight of 3060.48 g/mol, XLogP of 56.58, 17 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propan-2-yl-1,3-benzothiazole;6-chloro-2-propan-2-yl-1,3-benzothiazole;5-chloro-2-propan-2-yl-1,3-benzoxazole;4,6-difluoro-2-propan-2-yl-1,3-benzothiazole;5,6-dimethyl-2-propan-2-yl-1,3-benzothiazole;6-fluoro-2-propan-2-yl-1,3-benzothiazole;6-methoxy-2-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-yl-1,2-benzothiazole;2-methyl-5-propan-2-yl-3H-indole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-isoindole;2-propan-2-yl-6-(trifluoromethyl)-1,3-benzothiazole is sourced from PubChem (CID 159467085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).