6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-7-methyl-1H-indazole;methane

C84H110Cl2FN11O3S — CID 157217283

IUPAC6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-7-methyl-1H-indazole;methane
SMILESC.C.CC(C)(C)c1cc(Cl)c2[nH]ncc2c1.CC(C)(C)c1cc(Cl)c2c(c1)CC(=O)N2.CC(C)(C)c1cc(F)c2[nH]ncc2c1.CC(C)(C)c1ccc2[nH]c(=O)sc2c1.Cc1[nH]nc2ccc(C(C)(C)C)cc12.Cc1cc(C(C)(C)C)cc2c1NC(=O)C2.Cc1cc(C(C)(C)C)cc2cn[nH]c12
InChIInChI=1S/C13H17NO.C12H14ClNO.2C12H16N2.C11H13ClN2.C11H13FN2.C11H13NOS.2CH4/c1-8-5-10(13(2,3)4)6-9-7-11(15)14-12(8)9;1-12(2,3)8-4-7-5-10(15)14-11(7)9(13)6-8;1-8-5-10(12(2,3)4)6-9-7-13-14-11(8)9;1-8-10-7-9(12(2,3)4)5-6-11(10)14-13-8;2*1-11(2,3)8-4-7-6-13-14-10(7)9(12)5-8;1-11(2,3)7-4-5-8-9(6-7)14-10(13)12-8;;/h5-6H,7H2,1-4H3,(H,14,15);4,6H,5H2,1-3H3,(H,14,15);2*5-7H,1-4H3,(H,13,14);2*4-6H,1-3H3,(H,13,14);4-6H,1-3H3,(H,12,13);2*1H4
InChIKeyASOLJBUYPSPBHB-UHFFFAOYSA-N
MW1443.85 g/mol
LogP22.93
Rot. Bonds

About 6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-7-methyl-1H-indazole;methane

6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-7-methyl-1H-indazole;methane (PubChem CID 157217283) has the molecular formula C84H110Cl2FN11O3S and a molecular weight of 1443.85 g/mol. Its IUPAC name is 6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-7-methyl-1H-indazole;methane.

Molecular Properties

Compound Name6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-7-methyl-1H-indazole;methane
PubChem CID157217283
Molecular FormulaC84H110Cl2FN11O3S
Molecular Weight1443.85 g/mol
Exact Mass1441.79
IUPAC Name6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-7-methyl-1H-indazole;methane
SMILESC.C.CC(C)(C)c1cc(Cl)c2[nH]ncc2c1.CC(C)(C)c1cc(Cl)c2c(c1)CC(=O)N2.CC(C)(C)c1cc(F)c2[nH]ncc2c1.CC(C)(C)c1ccc2[nH]c(=O)sc2c1.Cc1[nH]nc2ccc(C(C)(C)C)cc12.Cc1cc(C(C)(C)C)cc2c1NC(=O)C2.Cc1cc(C(C)(C)C)cc2cn[nH]c12
InChIInChI=1S/C13H17NO.C12H14ClNO.2C12H16N2.C11H13ClN2.C11H13FN2.C11H13NOS.2CH4/c1-8-5-10(13(2,3)4)6-9-7-11(15)14-12(8)9;1-12(2,3)8-4-7-5-10(15)14-11(7)9(13)6-8;1-8-5-10(12(2,3)4)6-9-7-13-14-11(8)9;1-8-10-7-9(12(2,3)4)5-6-11(10)14-13-8;2*1-11(2,3)8-4-7-6-13-14-10(7)9(12)5-8;1-11(2,3)7-4-5-8-9(6-7)14-10(13)12-8;;/h5-6H,7H2,1-4H3,(H,14,15);4,6H,5H2,1-3H3,(H,14,15);2*5-7H,1-4H3,(H,13,14);2*4-6H,1-3H3,(H,13,14);4-6H,1-3H3,(H,12,13);2*1H4
InChIKeyASOLJBUYPSPBHB-UHFFFAOYSA-N
XLogP22.93
TPSA205.78 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001443.85
LogP ≤ 522.93
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Analyze 6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-7-methyl-1H-indazole;methane with MolForge

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Related Compounds

4-amino-2-(3-aminophenyl)-N-(1H-indazol-5-yl)butanamide;4-amino-2-[3,5-bis(trifluoromethyl)phenyl]-N-(1H-indazol-5-yl)butanamide;4-amino-2-(3-chloro-2,6-difluorophenyl)-N-(1H-indazol-5-yl)butanamide;4-amino-2-(2,3-dichlorophenyl)-N-(1H-indazol-5-yl)butanamide;4-amino-N-(1H-indazol-5-yl)-2-(3-methylsulfanylphenyl)butanamide;4-amino-N-(1H-indazol-5-yl)-2-[3-(trifluoromethyl)phenyl]butanamide
CID 160189572
5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole
CID 157830709
5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;5-tert-butyl-7-fluoro-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole
CID 158418890
5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;5-tert-butyl-3-fluoro-2H-indazole;5-tert-butyl-7-fluoro-1H-indazole;6-tert-butyl-2-methylidene-3H-1,3-benzothiazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole;methane
CID 158795991
5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole;methane
CID 159211249
5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-2-methylidene-1,3-dihydroindole;5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole
CID 160001925
5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole
CID 160481818
5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole
CID 160521901
5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;bis(5-tert-butyl-1,3-dihydroindol-2-one);5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole
CID 161300164
5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1H-indazole
CID 162081265
6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1H-indazole
CID 162195549

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-7-methyl-1H-indazole;methane?
The IUPAC name of 6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-7-methyl-1H-indazole;methane (CID 157217283) is 6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-7-methyl-1H-indazole;methane.
What is the SMILES notation for 6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-7-methyl-1H-indazole;methane?
The canonical SMILES for 6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-7-methyl-1H-indazole;methane is C.C.CC(C)(C)c1cc(Cl)c2[nH]ncc2c1.CC(C)(C)c1cc(Cl)c2c(c1)CC(=O)N2.CC(C)(C)c1cc(F)c2[nH]ncc2c1.CC(C)(C)c1ccc2[nH]c(=O)sc2c1.Cc1[nH]nc2ccc(C(C)(C)C)cc12.Cc1cc(C(C)(C)C)cc2c1NC(=O)C2.Cc1cc(C(C)(C)C)cc2cn[nH]c12.
What is the InChIKey of 6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-7-methyl-1H-indazole;methane?
The InChIKey is ASOLJBUYPSPBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C12H14ClNO.2C12H16N2.C11H13ClN2.C11H13FN2.C11H13NOS.2CH4/c1-8-5-10(13(2,3)4)6-9-7-11(15)14-12(8)9;1-12(2,3)8-4-7-5-10(15)14-11(7)9(13)6-8;1-8-5-10(12(2,3)4)6-9-7-13-14-11(8)9;1-8-10-7-9(12(2,3)4)5-6-11(10)14-13-8;2*1-11(2,3)8-4-7-6-13-14-10(7)9(12)5-8;1-11(2,3)7-4-5-8-9(6-7)14-10(13)12-8;;/h5-6H,7H2,1-4H3,(H,14,15);4,6H,5H2,1-3H3,(H,14,15);2*5-7H,1-4H3,(H,13,14);2*4-6H,1-3H3,(H,13,14);4-6H,1-3H3,(H,12,13);2*1H4.
What are the key properties of 6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-7-methyl-1H-indazole;methane?
6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-7-methyl-1H-indazole;methane has a molecular weight of 1443.85 g/mol, XLogP of 22.93, 0 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-1H-indazole;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-7-methyl-1H-indazole;methane is sourced from PubChem (CID 157217283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).