3-tert-butylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butylfuro[3,2-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-methylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-6-methylperoxysulfanyl-1,2-benzothiazole 1,1-dioxide;3-tert-butyl-5-methylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-c]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]thiazole 1,1-dioxide;3-tert-butylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide;methane

C170H254F3N27O39S21 — CID 159676320

IUPAC3-tert-butylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butylfuro[3,2-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-methylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-6-methylperoxysulfanyl-1,2-benzothiazole 1,1-dioxide;3-tert-butyl-5-methylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-c]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]thiazole 1,1-dioxide;3-tert-butylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)C1=NS(=O)(=O)C(c2cccc(C(F)(F)F)c2)=C1.CC(C)(C)C1=NS(=O)(=O)c2cccnc21.CC(C)(C)C1=NS(=O)(=O)c2ccncc21.CC(C)(C)C1=NS(=O)(=O)c2ccoc21.CC(C)(C)C1=NS(=O)(=O)c2ccsc21.CC(C)(C)C1=NS(=O)(=O)c2cncnc21.CC(C)(C)C1=NS(=O)(=O)c2ncccc21.CC(C)(C)C1=NS(=O)(=O)c2ncncc21.CC(C)(C)C1=NS(=O)(=O)c2ncoc21.CC(C)(C)C1=NS(=O)(=O)c2ncsc21.CC(C)(C)C1=NS(=O)(=O)c2occc21.CC(C)(C)C1=NS(=O)(=O)c2ocnc21.CC(C)(C)C1=NS(=O)(=O)c2scnc21.COOSc1ccc2c(c1)S(=O)(=O)N=C2C(C)(C)C.Cc1cc2c(o1)C(C(C)(C)C)=NS2(=O)=O.Cc1cc2c(s1)C(C(C)(C)C)=NS2(=O)=O
InChIInChI=1S/C14H14F3NO2S.C12H15NO4S2.3C10H12N2O2S.C10H13NO3S.C10H13NO2S2.2C9H11N3O2S.2C9H11NO3S.C9H11NO2S2.2C8H10N2O3S.2C8H10N2O2S2.17CH4/c1-13(2,3)12-8-11(21(19,20)18-12)9-5-4-6-10(7-9)14(15,16)17;1-12(2,3)11-9-6-5-8(18-17-16-4)7-10(9)19(14,15)13-11;1-10(2,3)9-7-6-11-5-4-8(7)15(13,14)12-9;1-10(2,3)9-8-7(5-4-6-11-8)15(13,14)12-9;1-10(2,3)8-7-5-4-6-11-9(7)15(13,14)12-8;2*1-6-5-7-8(14-6)9(10(2,3)4)11-15(7,12)13;1-9(2,3)8-7-6(4-10-5-11-7)15(13,14)12-8;1-9(2,3)7-6-4-10-5-11-8(6)15(13,14)12-7;1-9(2,3)8-7-6(4-5-13-7)14(11,12)10-8;1-9(2,3)7-6-4-5-13-8(6)14(11,12)10-7;1-9(2,3)8-7-6(4-5-13-7)14(11,12)10-8;1-8(2,3)6-5-7(9-4-13-5)14(11,12)10-6;1-8(2,3)6-5-7(13-4-9-5)14(11,12)10-6;1-8(2,3)6-5-7(9-4-13-5)14(11,12)10-6;1-8(2,3)6-5-7(13-4-9-5)14(11,12)10-6;;;;;;;;;;;;;;;;;/h4-8H,1-3H3;5-7H,1-4H3;3*4-6H,1-3H3;2*5H,1-4H3;2*4-5H,1-3H3;3*4-5H,1-3H3;4*4H,1-3H3;17*1H4
InChIKeyMUQGXLVZHKCGJG-UHFFFAOYSA-N
MW4030.45 g/mol
LogP40.81
Rot. Bonds4

About 3-tert-butylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butylfuro[3,2-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-methylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-6-methylperoxysulfanyl-1,2-benzothiazole 1,1-dioxide;3-tert-butyl-5-methylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-c]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]thiazole 1,1-dioxide;3-tert-butylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide;methane

3-tert-butylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butylfuro[3,2-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-methylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-6-methylperoxysulfanyl-1,2-benzothiazole 1,1-dioxide;3-tert-butyl-5-methylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-c]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]thiazole 1,1-dioxide;3-tert-butylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide;methane (PubChem CID 159676320) has the molecular formula C170H254F3N27O39S21 and a molecular weight of 4030.45 g/mol. Its IUPAC name is 3-tert-butylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butylfuro[3,2-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-methylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-6-methylperoxysulfanyl-1,2-benzothiazole 1,1-dioxide;3-tert-butyl-5-methylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-c]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]thiazole 1,1-dioxide;3-tert-butylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide;methane.

Molecular Properties

Compound Name3-tert-butylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butylfuro[3,2-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-methylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-6-methylperoxysulfanyl-1,2-benzothiazole 1,1-dioxide;3-tert-butyl-5-methylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-c]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]thiazole 1,1-dioxide;3-tert-butylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide;methane
PubChem CID159676320
Molecular FormulaC170H254F3N27O39S21
Molecular Weight4030.45 g/mol
Exact Mass4026.28
IUPAC Name3-tert-butylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butylfuro[3,2-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-methylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-6-methylperoxysulfanyl-1,2-benzothiazole 1,1-dioxide;3-tert-butyl-5-methylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-c]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]thiazole 1,1-dioxide;3-tert-butylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)C1=NS(=O)(=O)C(c2cccc(C(F)(F)F)c2)=C1.CC(C)(C)C1=NS(=O)(=O)c2cccnc21.CC(C)(C)C1=NS(=O)(=O)c2ccncc21.CC(C)(C)C1=NS(=O)(=O)c2ccoc21.CC(C)(C)C1=NS(=O)(=O)c2ccsc21.CC(C)(C)C1=NS(=O)(=O)c2cncnc21.CC(C)(C)C1=NS(=O)(=O)c2ncccc21.CC(C)(C)C1=NS(=O)(=O)c2ncncc21.CC(C)(C)C1=NS(=O)(=O)c2ncoc21.CC(C)(C)C1=NS(=O)(=O)c2ncsc21.CC(C)(C)C1=NS(=O)(=O)c2occc21.CC(C)(C)C1=NS(=O)(=O)c2ocnc21.CC(C)(C)C1=NS(=O)(=O)c2scnc21.COOSc1ccc2c(c1)S(=O)(=O)N=C2C(C)(C)C.Cc1cc2c(o1)C(C(C)(C)C)=NS2(=O)=O.Cc1cc2c(s1)C(C(C)(C)C)=NS2(=O)=O
InChIInChI=1S/C14H14F3NO2S.C12H15NO4S2.3C10H12N2O2S.C10H13NO3S.C10H13NO2S2.2C9H11N3O2S.2C9H11NO3S.C9H11NO2S2.2C8H10N2O3S.2C8H10N2O2S2.17CH4/c1-13(2,3)12-8-11(21(19,20)18-12)9-5-4-6-10(7-9)14(15,16)17;1-12(2,3)11-9-6-5-8(18-17-16-4)7-10(9)19(14,15)13-11;1-10(2,3)9-7-6-11-5-4-8(7)15(13,14)12-9;1-10(2,3)9-8-7(5-4-6-11-8)15(13,14)12-9;1-10(2,3)8-7-5-4-6-11-9(7)15(13,14)12-8;2*1-6-5-7-8(14-6)9(10(2,3)4)11-15(7,12)13;1-9(2,3)8-7-6(4-10-5-11-7)15(13,14)12-8;1-9(2,3)7-6-4-10-5-11-8(6)15(13,14)12-7;1-9(2,3)8-7-6(4-5-13-7)14(11,12)10-8;1-9(2,3)7-6-4-5-13-8(6)14(11,12)10-7;1-9(2,3)8-7-6(4-5-13-7)14(11,12)10-8;1-8(2,3)6-5-7(9-4-13-5)14(11,12)10-6;1-8(2,3)6-5-7(13-4-9-5)14(11,12)10-6;1-8(2,3)6-5-7(9-4-13-5)14(11,12)10-6;1-8(2,3)6-5-7(13-4-9-5)14(11,12)10-6;;;;;;;;;;;;;;;;;/h4-8H,1-3H3;5-7H,1-4H3;3*4-6H,1-3H3;2*5H,1-4H3;2*4-5H,1-3H3;3*4-5H,1-3H3;4*4H,1-3H3;17*1H4
InChIKeyMUQGXLVZHKCGJG-UHFFFAOYSA-N
XLogP40.81
TPSA969.95 Ų
H-Bond Donors
H-Bond Acceptors55
Rotatable Bonds4
Heavy Atoms260
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004030.45
LogP ≤ 540.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1055

Analyze 3-tert-butylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butylfuro[3,2-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-methylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-6-methylperoxysulfanyl-1,2-benzothiazole 1,1-dioxide;3-tert-butyl-5-methylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-c]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]thiazole 1,1-dioxide;3-tert-butylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butylfuro[3,2-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-methylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-6-methylperoxysulfanyl-1,2-benzothiazole 1,1-dioxide;3-tert-butyl-5-methylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-c]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]thiazole 1,1-dioxide;3-tert-butylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide;methane?
The IUPAC name of 3-tert-butylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butylfuro[3,2-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-methylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-6-methylperoxysulfanyl-1,2-benzothiazole 1,1-dioxide;3-tert-butyl-5-methylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-c]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]thiazole 1,1-dioxide;3-tert-butylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide;methane (CID 159676320) is 3-tert-butylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butylfuro[3,2-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-methylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-6-methylperoxysulfanyl-1,2-benzothiazole 1,1-dioxide;3-tert-butyl-5-methylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-c]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]thiazole 1,1-dioxide;3-tert-butylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide;methane.
What is the SMILES notation for 3-tert-butylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butylfuro[3,2-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-methylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-6-methylperoxysulfanyl-1,2-benzothiazole 1,1-dioxide;3-tert-butyl-5-methylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-c]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]thiazole 1,1-dioxide;3-tert-butylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide;methane?
The canonical SMILES for 3-tert-butylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butylfuro[3,2-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-methylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-6-methylperoxysulfanyl-1,2-benzothiazole 1,1-dioxide;3-tert-butyl-5-methylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-c]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]thiazole 1,1-dioxide;3-tert-butylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)C1=NS(=O)(=O)C(c2cccc(C(F)(F)F)c2)=C1.CC(C)(C)C1=NS(=O)(=O)c2cccnc21.CC(C)(C)C1=NS(=O)(=O)c2ccncc21.CC(C)(C)C1=NS(=O)(=O)c2ccoc21.CC(C)(C)C1=NS(=O)(=O)c2ccsc21.CC(C)(C)C1=NS(=O)(=O)c2cncnc21.CC(C)(C)C1=NS(=O)(=O)c2ncccc21.CC(C)(C)C1=NS(=O)(=O)c2ncncc21.CC(C)(C)C1=NS(=O)(=O)c2ncoc21.CC(C)(C)C1=NS(=O)(=O)c2ncsc21.CC(C)(C)C1=NS(=O)(=O)c2occc21.CC(C)(C)C1=NS(=O)(=O)c2ocnc21.CC(C)(C)C1=NS(=O)(=O)c2scnc21.COOSc1ccc2c(c1)S(=O)(=O)N=C2C(C)(C)C.Cc1cc2c(o1)C(C(C)(C)C)=NS2(=O)=O.Cc1cc2c(s1)C(C(C)(C)C)=NS2(=O)=O.
What is the InChIKey of 3-tert-butylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butylfuro[3,2-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-methylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-6-methylperoxysulfanyl-1,2-benzothiazole 1,1-dioxide;3-tert-butyl-5-methylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-c]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]thiazole 1,1-dioxide;3-tert-butylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide;methane?
The InChIKey is MUQGXLVZHKCGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2S.C12H15NO4S2.3C10H12N2O2S.C10H13NO3S.C10H13NO2S2.2C9H11N3O2S.2C9H11NO3S.C9H11NO2S2.2C8H10N2O3S.2C8H10N2O2S2.17CH4/c1-13(2,3)12-8-11(21(19,20)18-12)9-5-4-6-10(7-9)14(15,16)17;1-12(2,3)11-9-6-5-8(18-17-16-4)7-10(9)19(14,15)13-11;1-10(2,3)9-7-6-11-5-4-8(7)15(13,14)12-9;1-10(2,3)9-8-7(5-4-6-11-8)15(13,14)12-9;1-10(2,3)8-7-5-4-6-11-9(7)15(13,14)12-8;2*1-6-5-7-8(14-6)9(10(2,3)4)11-15(7,12)13;1-9(2,3)8-7-6(4-10-5-11-7)15(13,14)12-8;1-9(2,3)7-6-4-10-5-11-8(6)15(13,14)12-7;1-9(2,3)8-7-6(4-5-13-7)14(11,12)10-8;1-9(2,3)7-6-4-5-13-8(6)14(11,12)10-7;1-9(2,3)8-7-6(4-5-13-7)14(11,12)10-8;1-8(2,3)6-5-7(9-4-13-5)14(11,12)10-6;1-8(2,3)6-5-7(13-4-9-5)14(11,12)10-6;1-8(2,3)6-5-7(9-4-13-5)14(11,12)10-6;1-8(2,3)6-5-7(13-4-9-5)14(11,12)10-6;;;;;;;;;;;;;;;;;/h4-8H,1-3H3;5-7H,1-4H3;3*4-6H,1-3H3;2*5H,1-4H3;2*4-5H,1-3H3;3*4-5H,1-3H3;4*4H,1-3H3;17*1H4.
What are the key properties of 3-tert-butylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butylfuro[3,2-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-methylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-6-methylperoxysulfanyl-1,2-benzothiazole 1,1-dioxide;3-tert-butyl-5-methylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-c]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]thiazole 1,1-dioxide;3-tert-butylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide;methane?
3-tert-butylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butylfuro[3,2-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-methylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-6-methylperoxysulfanyl-1,2-benzothiazole 1,1-dioxide;3-tert-butyl-5-methylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-c]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]thiazole 1,1-dioxide;3-tert-butylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide;methane has a molecular weight of 4030.45 g/mol, XLogP of 40.81, 4 rotatable bonds, 0 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butylfuro[3,2-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-methylfuro[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-6-methylperoxysulfanyl-1,2-benzothiazole 1,1-dioxide;3-tert-butyl-5-methylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-b]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-c]pyridine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]oxazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d]pyrimidine 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[4,5-d][1,3]thiazole 1,1-dioxide;3-tert-butyl-[1,2]thiazolo[5,4-d][1,3]thiazole 1,1-dioxide;3-tert-butylthieno[2,3-d][1,2]thiazole 1,1-dioxide;3-tert-butyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide;methane is sourced from PubChem (CID 159676320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).