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

C205H313Cl3N32O3S3 — CID 158495221

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;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
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1ccc2c(Cl)[nH]nc2c1.CC(C)(C)c1ccc2c(Cl)noc2c1.CC(C)(C)c1ccc2c(Cl)nsc2c1.CC(C)(C)c1ccc2c(N)n[nH]c2c1.CC(C)(C)c1ccc2c(N)n[nH]c2c1.CC(C)(C)c1ccc2c(N)noc2c1.CC(C)(C)c1ccc2c(N)nsc2c1.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)nc2ccc(C(C)(C)C)cc21.Cn1c(N)nc2ccc(C(C)(C)C)cc21.Cn1cnc2ccc(C(C)(C)C)cc21.Cn1cnc2ccc(C(C)(C)C)cc21
InChIInChI=1S/3C13H18N2.2C12H17N3.2C12H16N2.C12H15NO.C12H15NS.C11H13ClN2.C11H12ClNO.C11H12ClNS.2C11H15N3.C11H14N2O.C11H14N2S.17CH4/c1-9-14-11-8-10(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)8-5-6-9-10(7-8)15(4)11(13)14-9;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;1-11(2,3)7-4-5-8-9(6-7)13-14-10(8)12;2*1-11(2,3)7-4-5-8-9(6-7)14-13-10(8)12;2*1-11(2,3)7-4-5-8-9(6-7)13-14-10(8)12;2*1-11(2,3)7-4-5-8-9(6-7)14-13-10(8)12;;;;;;;;;;;;;;;;;/h3*6-8H,1-5H3;2*5-7H,1-4H3,(H2,13,14);2*5-8H,1-4H3;2*5-7H,1-4H3;4-6H,1-3H3,(H,13,14);2*4-6H,1-3H3;2*4-6H,1-3H3,(H3,12,13,14);2*4-6H,1-3H3,(H2,12,13);17*1H4
InChIKeyHJEUGXAPFFHAIL-UHFFFAOYSA-N
MW3476.54 g/mol
LogP60.64
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;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

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 (PubChem CID 158495221) has the molecular formula C205H313Cl3N32O3S3 and a molecular weight of 3476.54 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;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.

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;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
PubChem CID158495221
Molecular FormulaC205H313Cl3N32O3S3
Molecular Weight3476.54 g/mol
Exact Mass3472.36
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;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
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1ccc2c(Cl)[nH]nc2c1.CC(C)(C)c1ccc2c(Cl)noc2c1.CC(C)(C)c1ccc2c(Cl)nsc2c1.CC(C)(C)c1ccc2c(N)n[nH]c2c1.CC(C)(C)c1ccc2c(N)n[nH]c2c1.CC(C)(C)c1ccc2c(N)noc2c1.CC(C)(C)c1ccc2c(N)nsc2c1.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)nc2ccc(C(C)(C)C)cc21.Cn1c(N)nc2ccc(C(C)(C)C)cc21.Cn1cnc2ccc(C(C)(C)C)cc21.Cn1cnc2ccc(C(C)(C)C)cc21
InChIInChI=1S/3C13H18N2.2C12H17N3.2C12H16N2.C12H15NO.C12H15NS.C11H13ClN2.C11H12ClNO.C11H12ClNS.2C11H15N3.C11H14N2O.C11H14N2S.17CH4/c1-9-14-11-8-10(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)8-5-6-9-10(7-8)15(4)11(13)14-9;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;1-11(2,3)7-4-5-8-9(6-7)13-14-10(8)12;2*1-11(2,3)7-4-5-8-9(6-7)14-13-10(8)12;2*1-11(2,3)7-4-5-8-9(6-7)13-14-10(8)12;2*1-11(2,3)7-4-5-8-9(6-7)14-13-10(8)12;;;;;;;;;;;;;;;;;/h3*6-8H,1-5H3;2*5-7H,1-4H3,(H2,13,14);2*5-8H,1-4H3;2*5-7H,1-4H3;4-6H,1-3H3,(H,13,14);2*4-6H,1-3H3;2*4-6H,1-3H3,(H3,12,13,14);2*4-6H,1-3H3,(H2,12,13);17*1H4
InChIKeyHJEUGXAPFFHAIL-UHFFFAOYSA-N
XLogP60.64
TPSA483.66 Ų
H-Bond Donors9
H-Bond Acceptors35
Rotatable Bonds
Heavy Atoms246
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003476.54
LogP ≤ 560.64
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1035

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;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 with MolForge

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Launch Full Analysis

Related Compounds

3-[5-(1H-benzimidazol-2-yl)-3-(1,2-benzothiazol-3-yl)-2-(1H-indazol-3-yl)-1H-indol-4-yl]-1,2-benzoxazole
CID 140968612
6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-3H-imidazo[4,5-c]pyridine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;5-methyl-1H-pyrazolo[5,4-b]pyridine;6-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;6-methyl-1H-pyrazolo[4,5-c]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine
CID 157106826
6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;3-methyl-5H-cyclopenta[b]pyridine;3-methyl-5H-cyclopenta[c]pyridine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;6-methyl-1H-isoindole;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;3-methyl-5H-pyrrolo[3,4-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;5-methyl-3H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,4-c]pyridine
CID 157402732
6-methyl-1H-benzimidazole;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;(7-methylnaphthalen-2-yl)methanamine
CID 157483946
4-tert-butyl-2H-benzotriazole;3-tert-butyl-1,2-benzoxazole;4-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;3-tert-butyl-2-methylindazole;3-tert-butyl-6-methyl-2H-indazole
CID 157743096
6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;3-methyl-5H-cyclopenta[b]pyridine;3-methyl-5H-cyclopenta[c]pyridine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-1H-isoindole;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;3-methyl-5H-pyrrolo[3,4-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,4-c]pyridine
CID 158084770
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
5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;2-methyl-1,7-naphthyridin-8-amine;3-methyl-1,6-naphthyridin-5-amine;7-methyl-2,6-naphthyridin-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine
CID 158203722
6-methyl-1H-benzimidazole;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;5-methyl-1H-pyrazolo[5,4-b]pyridine
CID 158475534
6-tert-butyl-1H-benzimidazole;6-tert-butyl-1,2-benzothiazole;5-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,2-benzoxazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,7-naphthyridine;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,7-naphthyridine;3-tert-butyl-2,6-naphthyridine;3-tert-butyl-2,7-naphthyridine;6-tert-butyl-1,7-naphthyridine;7-tert-butyl-1,6-naphthyridine;2-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline
CID 158704959
6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indazol-3-amine;bis(5-methyl-1H-indazole);6-methyl-1H-indazole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;5-methyl-1H-pyrazolo[5,4-b]pyridine;bis(6-methyl-1H-pyrazolo[4,5-b]pyridine);5-methyl-1H-pyrrolo[2,3-b]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine
CID 158753746

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;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?
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;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) 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;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.
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;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?
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;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 is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1ccc2c(Cl)[nH]nc2c1.CC(C)(C)c1ccc2c(Cl)noc2c1.CC(C)(C)c1ccc2c(Cl)nsc2c1.CC(C)(C)c1ccc2c(N)n[nH]c2c1.CC(C)(C)c1ccc2c(N)n[nH]c2c1.CC(C)(C)c1ccc2c(N)noc2c1.CC(C)(C)c1ccc2c(N)nsc2c1.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)nc2ccc(C(C)(C)C)cc21.Cn1c(N)nc2ccc(C(C)(C)C)cc21.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;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?
The InChIKey is HJEUGXAPFFHAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H18N2.2C12H17N3.2C12H16N2.C12H15NO.C12H15NS.C11H13ClN2.C11H12ClNO.C11H12ClNS.2C11H15N3.C11H14N2O.C11H14N2S.17CH4/c1-9-14-11-8-10(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)8-5-6-9-10(7-8)15(4)11(13)14-9;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;1-11(2,3)7-4-5-8-9(6-7)13-14-10(8)12;2*1-11(2,3)7-4-5-8-9(6-7)14-13-10(8)12;2*1-11(2,3)7-4-5-8-9(6-7)13-14-10(8)12;2*1-11(2,3)7-4-5-8-9(6-7)14-13-10(8)12;;;;;;;;;;;;;;;;;/h3*6-8H,1-5H3;2*5-7H,1-4H3,(H2,13,14);2*5-8H,1-4H3;2*5-7H,1-4H3;4-6H,1-3H3,(H,13,14);2*4-6H,1-3H3;2*4-6H,1-3H3,(H3,12,13,14);2*4-6H,1-3H3,(H2,12,13);17*1H4.
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;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?
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 has a molecular weight of 3476.54 g/mol, XLogP of 60.64, 0 rotatable bonds, 9 hydrogen bond donors, and 35 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;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 is sourced from PubChem (CID 158495221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).