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

C174H209ClF3N17O5S7 — CID 160938776

IUPAC6-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
SMILESCC(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.Cc1ccc2c(c1)CC(C(C)C)=N2.Cc1ccc2c(c1)N=C(C(C)C)C2.Cc1ccc2nc(C(C)C)oc2c1.Cc1ccc2nc(C(C)C)sc2c1.Cc1ccc2oc(C(C)C)nc2c1.Cc1ccc2sc(C(C)C)nc2c1.Cc1ccc2sc(C(C)C)nc2c1.Cc1cccc2c1CC(C(C)C)=N2.Cc1cccc2nc(C(C)C)oc12.Cc1cnc(C(C)C)s1
InChIInChI=1S/3C12H15N.C11H10F3NS.3C11H13NO.3C11H13NS.C11H13N.C10H10ClNS.C10H11NO.C10H11NS.C7H11NS.C7H11N.C6H9NO/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;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;1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;1-7(2)11-12-9-6-4-5-8(3)10(9)13-11;2*1-7(2)11-12-9-6-8(3)4-5-10(9)13-11;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)10-12-8-4-3-7(11)5-9(8)13-10;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-5(2)7-8-4-6(3)9-7;1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-6/h3*4-6,8H,7H2,1-3H3;3-6H,1-2H3;6*4-7H,1-3H3;3-6,8H,7H2,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;4-5H,1-3H3;3,5-6H,4H2,1-2H3;3-5H,1-2H3
InChIKeySUFMVSLVFIPMIK-UHFFFAOYSA-N
MW2935.62 g/mol
LogP55.03
Rot. Bonds17

About 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

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 (PubChem CID 160938776) has the molecular formula C174H209ClF3N17O5S7 and a molecular weight of 2935.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID160938776
Molecular FormulaC174H209ClF3N17O5S7
Molecular Weight2935.62 g/mol
Exact Mass2932.43
IUPAC Name6-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
SMILESCC(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.Cc1ccc2c(c1)CC(C(C)C)=N2.Cc1ccc2c(c1)N=C(C(C)C)C2.Cc1ccc2nc(C(C)C)oc2c1.Cc1ccc2nc(C(C)C)sc2c1.Cc1ccc2oc(C(C)C)nc2c1.Cc1ccc2sc(C(C)C)nc2c1.Cc1ccc2sc(C(C)C)nc2c1.Cc1cccc2c1CC(C(C)C)=N2.Cc1cccc2nc(C(C)C)oc12.Cc1cnc(C(C)C)s1
InChIInChI=1S/3C12H15N.C11H10F3NS.3C11H13NO.3C11H13NS.C11H13N.C10H10ClNS.C10H11NO.C10H11NS.C7H11NS.C7H11N.C6H9NO/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;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;1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;1-7(2)11-12-9-6-4-5-8(3)10(9)13-11;2*1-7(2)11-12-9-6-8(3)4-5-10(9)13-11;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)10-12-8-4-3-7(11)5-9(8)13-10;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-5(2)7-8-4-6(3)9-7;1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-6/h3*4-6,8H,7H2,1-3H3;3-6H,1-2H3;6*4-7H,1-3H3;3-6,8H,7H2,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;4-5H,1-3H3;3,5-6H,4H2,1-2H3;3-5H,1-2H3
InChIKeySUFMVSLVFIPMIK-UHFFFAOYSA-N
XLogP55.03
TPSA282.18 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds17
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002935.62
LogP ≤ 555.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 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 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-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
5-tert-butyl-2-[5-(5-tert-butyl-3H-indol-2-yl)thieno[3,2-b]thiophen-2-yl]-3H-indole;2-[3,6-ditert-butyl-5-(5,6-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylthieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(5-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5-methyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-diphenyl-1,3-benzoxazole;2-[3,6-diphenyl-5-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]thieno[3,2-b]thiophen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole
CID 158300514
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
CID 158364995
CID 158364995
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
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
2-[9,10-Ditert-butyl-6-(5,6-dimethyl-1,3-benzothiazol-2-yl)anthracen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[3,6-ditert-butyl-5-(5,6-dimethyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-5,6-dimethyl-1,3-benzothiazole;2-[6-(5,7-dimethyl-1,3-benzothiazol-2-yl)anthracen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[3,6-dimethyl-5-(6-methyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-6-methyl-1,3-benzothiazole;2-[1,5-dimethyl-6-(7-phenyl-1,3-benzoxazol-2-yl)anthracen-2-yl]-7-phenyl-1,3-benzoxazole;2-[9,10-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]anthracen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;6-phenyl-2-[5-(6-phenyl-1,3-benzothiazol-2-yl)thieno[3,2-b]thiophen-2-yl]-1,3-benzothiazole
CID 159683662
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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.Cc1ccc2c(c1)CC(C(C)C)=N2.Cc1ccc2c(c1)N=C(C(C)C)C2.Cc1ccc2nc(C(C)C)oc2c1.Cc1ccc2nc(C(C)C)sc2c1.Cc1ccc2oc(C(C)C)nc2c1.Cc1ccc2sc(C(C)C)nc2c1.Cc1ccc2sc(C(C)C)nc2c1.Cc1cccc2c1CC(C(C)C)=N2.Cc1cccc2nc(C(C)C)oc12.Cc1cnc(C(C)C)s1.
What is the InChIKey of 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?
The InChIKey is SUFMVSLVFIPMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H15N.C11H10F3NS.3C11H13NO.3C11H13NS.C11H13N.C10H10ClNS.C10H11NO.C10H11NS.C7H11NS.C7H11N.C6H9NO/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;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;1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;1-7(2)11-12-9-6-4-5-8(3)10(9)13-11;2*1-7(2)11-12-9-6-8(3)4-5-10(9)13-11;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)10-12-8-4-3-7(11)5-9(8)13-10;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-5(2)7-8-4-6(3)9-7;1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-6/h3*4-6,8H,7H2,1-3H3;3-6H,1-2H3;6*4-7H,1-3H3;3-6,8H,7H2,1-2H3;3-6H,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 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?
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 has a molecular weight of 2935.62 g/mol, XLogP of 55.03, 17 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160938776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).