6-tert-butyl-1,2-benzothiazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1,2-benzothiazole;6-tert-butyl-3-chloro-1,2-benzoxazole;bis(5-tert-butyl-1,2-dimethylbenzimidazole);bis(6-tert-butyl-1,2-dimethylbenzimidazole);bis(5-tert-butyl-1-methylbenzimidazol-2-amine);bis(6-tert-butyl-1-methylbenzimidazol-2-amine);bis(5-tert-butyl-1-methylbenzimidazole);bis(6-tert-butyl-1-methylbenzimidazole);6-tert-butyl-3-methyl-1,2-benzothiazole;6-tert-butyl-3-methyl-1,2-benzoxazole

C216H286Cl2N36O3S3 — CID 158823789

IUPAC6-tert-butyl-1,2-benzothiazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1,2-benzothiazole;6-tert-butyl-3-chloro-1,2-benzoxazole;bis(5-tert-butyl-1,2-dimethylbenzimidazole);bis(6-tert-butyl-1,2-dimethylbenzimidazole);bis(5-tert-butyl-1-methylbenzimidazol-2-amine);bis(6-tert-butyl-1-methylbenzimidazol-2-amine);bis(5-tert-butyl-1-methylbenzimidazole);bis(6-tert-butyl-1-methylbenzimidazole);6-tert-butyl-3-methyl-1,2-benzothiazole;6-tert-butyl-3-methyl-1,2-benzoxazole
SMILESCC(C)(C)c1ccc2c(Cl)noc2c1.CC(C)(C)c1ccc2c(Cl)nsc2c1.CC(C)(C)c1ccc2c(N)noc2c1.CC(C)(C)c1ccc2c(N)nsc2c1.Cc1nc2cc(C(C)(C)C)ccc2n1C.Cc1nc2cc(C(C)(C)C)ccc2n1C.Cc1nc2ccc(C(C)(C)C)cc2n1C.Cc1nc2ccc(C(C)(C)C)cc2n1C.Cc1noc2cc(C(C)(C)C)ccc12.Cc1nsc2cc(C(C)(C)C)ccc12.Cn1c(N)nc2cc(C(C)(C)C)ccc21.Cn1c(N)nc2cc(C(C)(C)C)ccc21.Cn1c(N)nc2ccc(C(C)(C)C)cc21.Cn1c(N)nc2ccc(C(C)(C)C)cc21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1cnc2ccc(C(C)(C)C)cc21.Cn1cnc2ccc(C(C)(C)C)cc21
InChIInChI=1S/4C13H18N2.4C12H17N3.4C12H16N2.C12H15NO.C12H15NS.C11H12ClNO.C11H12ClNS.C11H14N2O.C11H14N2S/c2*1-9-14-11-8-10(13(2,3)4)6-7-12(11)15(9)5;2*1-9-14-11-7-6-10(13(2,3)4)8-12(11)15(9)5;2*1-12(2,3)8-5-6-10-9(7-8)14-11(13)15(10)4;2*1-12(2,3)8-5-6-9-10(7-8)15(4)11(13)14-9;2*1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;2*1-12(2,3)9-5-6-10-11(7-9)14(4)8-13-10;2*1-8-10-6-5-9(12(2,3)4)7-11(10)14-13-8;4*1-11(2,3)7-4-5-8-9(6-7)14-13-10(8)12/h4*6-8H,1-5H3;4*5-7H,1-4H3,(H2,13,14);4*5-8H,1-4H3;2*5-7H,1-4H3;2*4-6H,1-3H3;2*4-6H,1-3H3,(H2,12,13)
InChIKeyIWESQNRWEPAZON-UHFFFAOYSA-N
MW3602.02 g/mol
LogP55.26
Rot. Bonds

About 6-tert-butyl-1,2-benzothiazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1,2-benzothiazole;6-tert-butyl-3-chloro-1,2-benzoxazole;bis(5-tert-butyl-1,2-dimethylbenzimidazole);bis(6-tert-butyl-1,2-dimethylbenzimidazole);bis(5-tert-butyl-1-methylbenzimidazol-2-amine);bis(6-tert-butyl-1-methylbenzimidazol-2-amine);bis(5-tert-butyl-1-methylbenzimidazole);bis(6-tert-butyl-1-methylbenzimidazole);6-tert-butyl-3-methyl-1,2-benzothiazole;6-tert-butyl-3-methyl-1,2-benzoxazole

6-tert-butyl-1,2-benzothiazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1,2-benzothiazole;6-tert-butyl-3-chloro-1,2-benzoxazole;bis(5-tert-butyl-1,2-dimethylbenzimidazole);bis(6-tert-butyl-1,2-dimethylbenzimidazole);bis(5-tert-butyl-1-methylbenzimidazol-2-amine);bis(6-tert-butyl-1-methylbenzimidazol-2-amine);bis(5-tert-butyl-1-methylbenzimidazole);bis(6-tert-butyl-1-methylbenzimidazole);6-tert-butyl-3-methyl-1,2-benzothiazole;6-tert-butyl-3-methyl-1,2-benzoxazole (PubChem CID 158823789) has the molecular formula C216H286Cl2N36O3S3 and a molecular weight of 3602.02 g/mol. Its IUPAC name is 6-tert-butyl-1,2-benzothiazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1,2-benzothiazole;6-tert-butyl-3-chloro-1,2-benzoxazole;bis(5-tert-butyl-1,2-dimethylbenzimidazole);bis(6-tert-butyl-1,2-dimethylbenzimidazole);bis(5-tert-butyl-1-methylbenzimidazol-2-amine);bis(6-tert-butyl-1-methylbenzimidazol-2-amine);bis(5-tert-butyl-1-methylbenzimidazole);bis(6-tert-butyl-1-methylbenzimidazole);6-tert-butyl-3-methyl-1,2-benzothiazole;6-tert-butyl-3-methyl-1,2-benzoxazole.

Molecular Properties

Compound Name6-tert-butyl-1,2-benzothiazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1,2-benzothiazole;6-tert-butyl-3-chloro-1,2-benzoxazole;bis(5-tert-butyl-1,2-dimethylbenzimidazole);bis(6-tert-butyl-1,2-dimethylbenzimidazole);bis(5-tert-butyl-1-methylbenzimidazol-2-amine);bis(6-tert-butyl-1-methylbenzimidazol-2-amine);bis(5-tert-butyl-1-methylbenzimidazole);bis(6-tert-butyl-1-methylbenzimidazole);6-tert-butyl-3-methyl-1,2-benzothiazole;6-tert-butyl-3-methyl-1,2-benzoxazole
PubChem CID158823789
Molecular FormulaC216H286Cl2N36O3S3
Molecular Weight3602.02 g/mol
Exact Mass3598.19
IUPAC Name6-tert-butyl-1,2-benzothiazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1,2-benzothiazole;6-tert-butyl-3-chloro-1,2-benzoxazole;bis(5-tert-butyl-1,2-dimethylbenzimidazole);bis(6-tert-butyl-1,2-dimethylbenzimidazole);bis(5-tert-butyl-1-methylbenzimidazol-2-amine);bis(6-tert-butyl-1-methylbenzimidazol-2-amine);bis(5-tert-butyl-1-methylbenzimidazole);bis(6-tert-butyl-1-methylbenzimidazole);6-tert-butyl-3-methyl-1,2-benzothiazole;6-tert-butyl-3-methyl-1,2-benzoxazole
SMILESCC(C)(C)c1ccc2c(Cl)noc2c1.CC(C)(C)c1ccc2c(Cl)nsc2c1.CC(C)(C)c1ccc2c(N)noc2c1.CC(C)(C)c1ccc2c(N)nsc2c1.Cc1nc2cc(C(C)(C)C)ccc2n1C.Cc1nc2cc(C(C)(C)C)ccc2n1C.Cc1nc2ccc(C(C)(C)C)cc2n1C.Cc1nc2ccc(C(C)(C)C)cc2n1C.Cc1noc2cc(C(C)(C)C)ccc12.Cc1nsc2cc(C(C)(C)C)ccc12.Cn1c(N)nc2cc(C(C)(C)C)ccc21.Cn1c(N)nc2cc(C(C)(C)C)ccc21.Cn1c(N)nc2ccc(C(C)(C)C)cc21.Cn1c(N)nc2ccc(C(C)(C)C)cc21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1cnc2ccc(C(C)(C)C)cc21.Cn1cnc2ccc(C(C)(C)C)cc21
InChIInChI=1S/4C13H18N2.4C12H17N3.4C12H16N2.C12H15NO.C12H15NS.C11H12ClNO.C11H12ClNS.C11H14N2O.C11H14N2S/c2*1-9-14-11-8-10(13(2,3)4)6-7-12(11)15(9)5;2*1-9-14-11-7-6-10(13(2,3)4)8-12(11)15(9)5;2*1-12(2,3)8-5-6-10-9(7-8)14-11(13)15(10)4;2*1-12(2,3)8-5-6-9-10(7-8)15(4)11(13)14-9;2*1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;2*1-12(2,3)9-5-6-10-11(7-9)14(4)8-13-10;2*1-8-10-6-5-9(12(2,3)4)7-11(10)14-13-8;4*1-11(2,3)7-4-5-8-9(6-7)14-13-10(8)12/h4*6-8H,1-5H3;4*5-7H,1-4H3,(H2,13,14);4*5-8H,1-4H3;2*5-7H,1-4H3;2*4-6H,1-3H3;2*4-6H,1-3H3,(H2,12,13)
InChIKeyIWESQNRWEPAZON-UHFFFAOYSA-N
XLogP55.26
TPSA486.72 Ų
H-Bond Donors6
H-Bond Acceptors42
Rotatable Bonds
Heavy Atoms260
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003602.02
LogP ≤ 555.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1042

Analyze 6-tert-butyl-1,2-benzothiazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1,2-benzothiazole;6-tert-butyl-3-chloro-1,2-benzoxazole;bis(5-tert-butyl-1,2-dimethylbenzimidazole);bis(6-tert-butyl-1,2-dimethylbenzimidazole);bis(5-tert-butyl-1-methylbenzimidazol-2-amine);bis(6-tert-butyl-1-methylbenzimidazol-2-amine);bis(5-tert-butyl-1-methylbenzimidazole);bis(6-tert-butyl-1-methylbenzimidazole);6-tert-butyl-3-methyl-1,2-benzothiazole;6-tert-butyl-3-methyl-1,2-benzoxazole with MolForge

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Launch Full Analysis

Related Compounds

6-tert-butyl-1,2-benzothiazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1,2-benzothiazole;6-tert-butyl-3-chloro-1,2-benzoxazole;6-tert-butyl-3-chloro-2H-indazole;6-tert-butyl-3-chloro-1-methylindazole;6-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1H-indazol-3-amine;6-tert-butyl-3-methyl-1,2-benzothiazole;6-tert-butyl-3-methyl-1,2-benzoxazole;bis(6-tert-butyl-1-methylindazol-3-amine);6-tert-butyl-3-methyl-2H-indazole
CID 158176880
6-tert-butyl-1,2-benzothiazol-3-amine;6-tert-butyl-1-benzothiophen-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1,2-benzothiazole;6-tert-butyl-3-chloro-1-benzothiophene;bis(6-tert-butyl-3-chloro-1,2-benzoxazole);6-tert-butyl-3-chloro-2H-indazole;6-tert-butyl-3-chloro-1-methylindazole;6-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1-methylbenzimidazol-2-amine;6-tert-butyl-1-methylindazol-3-amine
CID 158183257
6-tert-butyl-1,2-benzothiazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1,2-benzothiazole;6-tert-butyl-3-chloro-1,2-benzoxazole;6-tert-butyl-3-chloro-2H-indazole;5-tert-butyl-1,2-dimethylbenzimidazole;bis(6-tert-butyl-1,2-dimethylbenzimidazole);bis(6-tert-butyl-1H-indazol-3-amine);bis(6-tert-butyl-1-methylbenzimidazol-2-amine);bis(6-tert-butyl-1-methylbenzimidazole);6-tert-butyl-3-methyl-1,2-benzothiazole;6-tert-butyl-3-methyl-1,2-benzoxazole;methane
CID 158495221

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,2-benzothiazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1,2-benzothiazole;6-tert-butyl-3-chloro-1,2-benzoxazole;bis(5-tert-butyl-1,2-dimethylbenzimidazole);bis(6-tert-butyl-1,2-dimethylbenzimidazole);bis(5-tert-butyl-1-methylbenzimidazol-2-amine);bis(6-tert-butyl-1-methylbenzimidazol-2-amine);bis(5-tert-butyl-1-methylbenzimidazole);bis(6-tert-butyl-1-methylbenzimidazole);6-tert-butyl-3-methyl-1,2-benzothiazole;6-tert-butyl-3-methyl-1,2-benzoxazole?
The IUPAC name of 6-tert-butyl-1,2-benzothiazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1,2-benzothiazole;6-tert-butyl-3-chloro-1,2-benzoxazole;bis(5-tert-butyl-1,2-dimethylbenzimidazole);bis(6-tert-butyl-1,2-dimethylbenzimidazole);bis(5-tert-butyl-1-methylbenzimidazol-2-amine);bis(6-tert-butyl-1-methylbenzimidazol-2-amine);bis(5-tert-butyl-1-methylbenzimidazole);bis(6-tert-butyl-1-methylbenzimidazole);6-tert-butyl-3-methyl-1,2-benzothiazole;6-tert-butyl-3-methyl-1,2-benzoxazole (CID 158823789) is 6-tert-butyl-1,2-benzothiazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1,2-benzothiazole;6-tert-butyl-3-chloro-1,2-benzoxazole;bis(5-tert-butyl-1,2-dimethylbenzimidazole);bis(6-tert-butyl-1,2-dimethylbenzimidazole);bis(5-tert-butyl-1-methylbenzimidazol-2-amine);bis(6-tert-butyl-1-methylbenzimidazol-2-amine);bis(5-tert-butyl-1-methylbenzimidazole);bis(6-tert-butyl-1-methylbenzimidazole);6-tert-butyl-3-methyl-1,2-benzothiazole;6-tert-butyl-3-methyl-1,2-benzoxazole.
What is the SMILES notation for 6-tert-butyl-1,2-benzothiazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1,2-benzothiazole;6-tert-butyl-3-chloro-1,2-benzoxazole;bis(5-tert-butyl-1,2-dimethylbenzimidazole);bis(6-tert-butyl-1,2-dimethylbenzimidazole);bis(5-tert-butyl-1-methylbenzimidazol-2-amine);bis(6-tert-butyl-1-methylbenzimidazol-2-amine);bis(5-tert-butyl-1-methylbenzimidazole);bis(6-tert-butyl-1-methylbenzimidazole);6-tert-butyl-3-methyl-1,2-benzothiazole;6-tert-butyl-3-methyl-1,2-benzoxazole?
The canonical SMILES for 6-tert-butyl-1,2-benzothiazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1,2-benzothiazole;6-tert-butyl-3-chloro-1,2-benzoxazole;bis(5-tert-butyl-1,2-dimethylbenzimidazole);bis(6-tert-butyl-1,2-dimethylbenzimidazole);bis(5-tert-butyl-1-methylbenzimidazol-2-amine);bis(6-tert-butyl-1-methylbenzimidazol-2-amine);bis(5-tert-butyl-1-methylbenzimidazole);bis(6-tert-butyl-1-methylbenzimidazole);6-tert-butyl-3-methyl-1,2-benzothiazole;6-tert-butyl-3-methyl-1,2-benzoxazole is CC(C)(C)c1ccc2c(Cl)noc2c1.CC(C)(C)c1ccc2c(Cl)nsc2c1.CC(C)(C)c1ccc2c(N)noc2c1.CC(C)(C)c1ccc2c(N)nsc2c1.Cc1nc2cc(C(C)(C)C)ccc2n1C.Cc1nc2cc(C(C)(C)C)ccc2n1C.Cc1nc2ccc(C(C)(C)C)cc2n1C.Cc1nc2ccc(C(C)(C)C)cc2n1C.Cc1noc2cc(C(C)(C)C)ccc12.Cc1nsc2cc(C(C)(C)C)ccc12.Cn1c(N)nc2cc(C(C)(C)C)ccc21.Cn1c(N)nc2cc(C(C)(C)C)ccc21.Cn1c(N)nc2ccc(C(C)(C)C)cc21.Cn1c(N)nc2ccc(C(C)(C)C)cc21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1cnc2ccc(C(C)(C)C)cc21.Cn1cnc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 6-tert-butyl-1,2-benzothiazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1,2-benzothiazole;6-tert-butyl-3-chloro-1,2-benzoxazole;bis(5-tert-butyl-1,2-dimethylbenzimidazole);bis(6-tert-butyl-1,2-dimethylbenzimidazole);bis(5-tert-butyl-1-methylbenzimidazol-2-amine);bis(6-tert-butyl-1-methylbenzimidazol-2-amine);bis(5-tert-butyl-1-methylbenzimidazole);bis(6-tert-butyl-1-methylbenzimidazole);6-tert-butyl-3-methyl-1,2-benzothiazole;6-tert-butyl-3-methyl-1,2-benzoxazole?
The InChIKey is IWESQNRWEPAZON-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H18N2.4C12H17N3.4C12H16N2.C12H15NO.C12H15NS.C11H12ClNO.C11H12ClNS.C11H14N2O.C11H14N2S/c2*1-9-14-11-8-10(13(2,3)4)6-7-12(11)15(9)5;2*1-9-14-11-7-6-10(13(2,3)4)8-12(11)15(9)5;2*1-12(2,3)8-5-6-10-9(7-8)14-11(13)15(10)4;2*1-12(2,3)8-5-6-9-10(7-8)15(4)11(13)14-9;2*1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;2*1-12(2,3)9-5-6-10-11(7-9)14(4)8-13-10;2*1-8-10-6-5-9(12(2,3)4)7-11(10)14-13-8;4*1-11(2,3)7-4-5-8-9(6-7)14-13-10(8)12/h4*6-8H,1-5H3;4*5-7H,1-4H3,(H2,13,14);4*5-8H,1-4H3;2*5-7H,1-4H3;2*4-6H,1-3H3;2*4-6H,1-3H3,(H2,12,13).
What are the key properties of 6-tert-butyl-1,2-benzothiazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1,2-benzothiazole;6-tert-butyl-3-chloro-1,2-benzoxazole;bis(5-tert-butyl-1,2-dimethylbenzimidazole);bis(6-tert-butyl-1,2-dimethylbenzimidazole);bis(5-tert-butyl-1-methylbenzimidazol-2-amine);bis(6-tert-butyl-1-methylbenzimidazol-2-amine);bis(5-tert-butyl-1-methylbenzimidazole);bis(6-tert-butyl-1-methylbenzimidazole);6-tert-butyl-3-methyl-1,2-benzothiazole;6-tert-butyl-3-methyl-1,2-benzoxazole?
6-tert-butyl-1,2-benzothiazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1,2-benzothiazole;6-tert-butyl-3-chloro-1,2-benzoxazole;bis(5-tert-butyl-1,2-dimethylbenzimidazole);bis(6-tert-butyl-1,2-dimethylbenzimidazole);bis(5-tert-butyl-1-methylbenzimidazol-2-amine);bis(6-tert-butyl-1-methylbenzimidazol-2-amine);bis(5-tert-butyl-1-methylbenzimidazole);bis(6-tert-butyl-1-methylbenzimidazole);6-tert-butyl-3-methyl-1,2-benzothiazole;6-tert-butyl-3-methyl-1,2-benzoxazole has a molecular weight of 3602.02 g/mol, XLogP of 55.26, 0 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1,2-benzothiazol-3-amine;6-tert-butyl-1,2-benzoxazol-3-amine;6-tert-butyl-3-chloro-1,2-benzothiazole;6-tert-butyl-3-chloro-1,2-benzoxazole;bis(5-tert-butyl-1,2-dimethylbenzimidazole);bis(6-tert-butyl-1,2-dimethylbenzimidazole);bis(5-tert-butyl-1-methylbenzimidazol-2-amine);bis(6-tert-butyl-1-methylbenzimidazol-2-amine);bis(5-tert-butyl-1-methylbenzimidazole);bis(6-tert-butyl-1-methylbenzimidazole);6-tert-butyl-3-methyl-1,2-benzothiazole;6-tert-butyl-3-methyl-1,2-benzoxazole is sourced from PubChem (CID 158823789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).