6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;bis(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-2-methyl-1H-benzimidazole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;methane;3-methyl-5-propan-2-yl-1H-indole

C156H204N16O10S2 — CID 159217477

IUPAC6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;bis(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-2-methyl-1H-benzimidazole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;methane;3-methyl-5-propan-2-yl-1H-indole
SMILESC.CC(C)(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)(C)c1ccc2[nH]c(=O)sc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)C(C)(C)C(=O)N2.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)CS(=O)(=O)N2.CC(C)(C)c1ccc2n[nH]nc2c1.Cc1c[nH]c2ccc(C(C)C)cc12.Cc1cc(O)ccc1C(C)(C)C.Cc1nc2ccc(C(C)(C)C)cc2[nH]1
InChIInChI=1S/C14H19NO.2C13H17NO.C13H15NO.C12H16N2.2C12H15NO.C12H15N.C11H14N2.C11H15NO2S.C11H13NOS.C11H16O.C10H13N3.CH4/c1-13(2,3)9-6-7-11-10(8-9)14(4,5)12(16)15-11;3*1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;2*1-12(2,3)9-4-5-10-8(6-9)7-11(14)13-10;1-8(2)10-4-5-12-11(6-10)9(3)7-13-12;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-4-5-10-8(6-9)7-15(13,14)12-10;1-11(2,3)7-4-5-8-9(6-7)14-10(13)12-8;1-8-7-9(12)5-6-10(8)11(2,3)4;1-10(2,3)7-4-5-8-9(6-7)12-13-11-8;/h6-8H,1-5H3,(H,15,16);2*5-6,8H,4,7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);5-7H,1-4H3,(H,13,14);2*4-6H,7H2,1-3H3,(H,13,14);4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13);4-6,12H,7H2,1-3H3;4-6H,1-3H3,(H,12,13);5-7,12H,1-4H3;4-6H,1-3H3,(H,11,12,13);1H4
InChIKeyKRGJBRANZXHUQG-UHFFFAOYSA-N
MW2527.58 g/mol
LogP37.38
Rot. Bonds1

About 6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;bis(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-2-methyl-1H-benzimidazole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;methane;3-methyl-5-propan-2-yl-1H-indole

6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;bis(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-2-methyl-1H-benzimidazole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;methane;3-methyl-5-propan-2-yl-1H-indole (PubChem CID 159217477) has the molecular formula C156H204N16O10S2 and a molecular weight of 2527.58 g/mol. Its IUPAC name is 6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;bis(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-2-methyl-1H-benzimidazole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;methane;3-methyl-5-propan-2-yl-1H-indole.

Molecular Properties

Compound Name6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;bis(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-2-methyl-1H-benzimidazole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;methane;3-methyl-5-propan-2-yl-1H-indole
PubChem CID159217477
Molecular FormulaC156H204N16O10S2
Molecular Weight2527.58 g/mol
Exact Mass2525.54
IUPAC Name6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;bis(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-2-methyl-1H-benzimidazole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;methane;3-methyl-5-propan-2-yl-1H-indole
SMILESC.CC(C)(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)(C)c1ccc2[nH]c(=O)sc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)C(C)(C)C(=O)N2.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)CS(=O)(=O)N2.CC(C)(C)c1ccc2n[nH]nc2c1.Cc1c[nH]c2ccc(C(C)C)cc12.Cc1cc(O)ccc1C(C)(C)C.Cc1nc2ccc(C(C)(C)C)cc2[nH]1
InChIInChI=1S/C14H19NO.2C13H17NO.C13H15NO.C12H16N2.2C12H15NO.C12H15N.C11H14N2.C11H15NO2S.C11H13NOS.C11H16O.C10H13N3.CH4/c1-13(2,3)9-6-7-11-10(8-9)14(4,5)12(16)15-11;3*1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;2*1-12(2,3)9-4-5-10-8(6-9)7-11(14)13-10;1-8(2)10-4-5-12-11(6-10)9(3)7-13-12;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-4-5-10-8(6-9)7-15(13,14)12-10;1-11(2,3)7-4-5-8-9(6-7)14-10(13)12-8;1-8-7-9(12)5-6-10(8)11(2,3)4;1-10(2,3)7-4-5-8-9(6-7)12-13-11-8;/h6-8H,1-5H3,(H,15,16);2*5-6,8H,4,7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);5-7H,1-4H3,(H,13,14);2*4-6H,7H2,1-3H3,(H,13,14);4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13);4-6,12H,7H2,1-3H3;4-6H,1-3H3,(H,12,13);5-7,12H,1-4H3;4-6H,1-3H3,(H,11,12,13);1H4
InChIKeyKRGJBRANZXHUQG-UHFFFAOYSA-N
XLogP37.38
TPSA392.34 Ų
H-Bond Donors13
H-Bond Acceptors15
Rotatable Bonds1
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002527.58
LogP ≤ 537.38
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1015

Analyze 6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;bis(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-2-methyl-1H-benzimidazole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;methane;3-methyl-5-propan-2-yl-1H-indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;bis(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-2-methyl-1H-benzimidazole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;methane;3-methyl-5-propan-2-yl-1H-indole?
The IUPAC name of 6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;bis(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-2-methyl-1H-benzimidazole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;methane;3-methyl-5-propan-2-yl-1H-indole (CID 159217477) is 6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;bis(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-2-methyl-1H-benzimidazole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;methane;3-methyl-5-propan-2-yl-1H-indole.
What is the SMILES notation for 6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;bis(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-2-methyl-1H-benzimidazole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;methane;3-methyl-5-propan-2-yl-1H-indole?
The canonical SMILES for 6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;bis(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-2-methyl-1H-benzimidazole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;methane;3-methyl-5-propan-2-yl-1H-indole is C.CC(C)(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)(C)c1ccc2[nH]c(=O)sc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)C(C)(C)C(=O)N2.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)CS(=O)(=O)N2.CC(C)(C)c1ccc2n[nH]nc2c1.Cc1c[nH]c2ccc(C(C)C)cc12.Cc1cc(O)ccc1C(C)(C)C.Cc1nc2ccc(C(C)(C)C)cc2[nH]1.
What is the InChIKey of 6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;bis(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-2-methyl-1H-benzimidazole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;methane;3-methyl-5-propan-2-yl-1H-indole?
The InChIKey is KRGJBRANZXHUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.2C13H17NO.C13H15NO.C12H16N2.2C12H15NO.C12H15N.C11H14N2.C11H15NO2S.C11H13NOS.C11H16O.C10H13N3.CH4/c1-13(2,3)9-6-7-11-10(8-9)14(4,5)12(16)15-11;3*1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;2*1-12(2,3)9-4-5-10-8(6-9)7-11(14)13-10;1-8(2)10-4-5-12-11(6-10)9(3)7-13-12;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-4-5-10-8(6-9)7-15(13,14)12-10;1-11(2,3)7-4-5-8-9(6-7)14-10(13)12-8;1-8-7-9(12)5-6-10(8)11(2,3)4;1-10(2,3)7-4-5-8-9(6-7)12-13-11-8;/h6-8H,1-5H3,(H,15,16);2*5-6,8H,4,7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);5-7H,1-4H3,(H,13,14);2*4-6H,7H2,1-3H3,(H,13,14);4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13);4-6,12H,7H2,1-3H3;4-6H,1-3H3,(H,12,13);5-7,12H,1-4H3;4-6H,1-3H3,(H,11,12,13);1H4.
What are the key properties of 6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;bis(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-2-methyl-1H-benzimidazole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;methane;3-methyl-5-propan-2-yl-1H-indole?
6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;bis(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-2-methyl-1H-benzimidazole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;methane;3-methyl-5-propan-2-yl-1H-indole has a molecular weight of 2527.58 g/mol, XLogP of 37.38, 1 rotatable bonds, 13 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-2H-benzotriazole;5-tert-butyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;bis(5-tert-butyl-1,3-dihydroindol-2-one);bis(6-tert-butyl-3,4-dihydro-1H-quinolin-2-one);5-tert-butyl-3,3-dimethyl-1H-indol-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-2-methyl-1H-benzimidazole;4-tert-butyl-3-methylphenol;6-tert-butyl-1H-quinolin-2-one;methane;3-methyl-5-propan-2-yl-1H-indole is sourced from PubChem (CID 159217477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).