2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)-4H-cyclopenta[b]thiophene;2,5-di(propan-2-yl)furo[2,3-b]furan;3,7-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d][1,3]oxazole;2,5-di(propan-2-yl)-[1,3]oxazolo[5,4-d][1,3]oxazole;2,6-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d][1,3]thiazole;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thieno[2,3-d][1,3]thiazole;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide

C195H273N13O8S14 — CID 159971129

IUPAC2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)-4H-cyclopenta[b]thiophene;2,5-di(propan-2-yl)furo[2,3-b]furan;3,7-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d][1,3]oxazole;2,5-di(propan-2-yl)-[1,3]oxazolo[5,4-d][1,3]oxazole;2,6-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d][1,3]thiazole;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thieno[2,3-d][1,3]thiazole;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide
SMILESCC(C)(C)C1=Nc2sc(C(C)(C)C)cc2C1.CC(C)C1=CCC(C(C)C)CC1.CC(C)C1=Cc2sc(C(C)C)cc2C1.CC(C)c1cc2c(s1)CN(C(C)C)S2(=O)=O.CC(C)c1cc2cc(C(C)C)oc2o1.CC(C)c1cc2cc(C(C)C)sc2s1.CC(C)c1cc2sc(C(C)C)cc2s1.CC(C)c1cc2sc(C(C)C)nc2s1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc2cc(C(C)C)ccc2c1.CC(C)c1ccc2cc(C(C)C)ncc2c1.CC(C)c1ccc2nc(C(C)C)ccc2c1.CC(C)c1nc2nc(C(C)C)oc2o1.CC(C)c1nc2nc(C(C)C)sc2s1.CC(C)c1nc2oc(C(C)C)nc2o1.CC(C)c1nc2sc(C(C)C)nc2s1
InChIInChI=1S/C16H20.2C15H19N.C14H21NS.C13H18S.C12H16O2.2C12H16S2.C12H22.C12H18.C11H17NO2S2.C11H15NS2.2C10H14N2O2.2C10H14N2S2/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-10(2)12-5-8-15-13(9-12)6-7-14(16-15)11(3)4;1-10(2)12-5-6-13-8-15(11(3)4)16-9-14(13)7-12;1-13(2,3)10-7-9-8-11(14(4,5)6)16-12(9)15-10;1-8(2)10-5-11-7-12(9(3)4)14-13(11)6-10;1-7(2)10-5-9-6-11(8(3)4)14-12(9)13-10;1-7(2)9-5-11-12(13-9)6-10(14-11)8(3)4;1-7(2)10-5-9-6-11(8(3)4)14-12(9)13-10;2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-5-11-10(15-9)6-12(8(3)4)16(11,13)14;1-6(2)8-5-9-11(13-8)12-10(14-9)7(3)4;1-5(2)8-11-7-10(13-8)14-9(12-7)6(3)4;1-5(2)7-11-9-10(13-7)12-8(14-9)6(3)4;1-5(2)8-11-7-10(13-8)14-9(12-7)6(3)4;1-5(2)7-11-9-10(13-7)12-8(14-9)6(3)4/h5-12H,1-4H3;2*5-11H,1-4H3;8H,7H2,1-6H3;6-9H,5H2,1-4H3;3*5-8H,1-4H3;5,9-10,12H,6-8H2,1-4H3;5-10H,1-4H3;5,7-8H,6H2,1-4H3;5-7H,1-4H3;4*5-6H,1-4H3
InChIKeyOEOFCKJMZAEJLH-UHFFFAOYSA-N
MW3376.35 g/mol
LogP67.40
Rot. Bonds30

About 2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)-4H-cyclopenta[b]thiophene;2,5-di(propan-2-yl)furo[2,3-b]furan;3,7-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d][1,3]oxazole;2,5-di(propan-2-yl)-[1,3]oxazolo[5,4-d][1,3]oxazole;2,6-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d][1,3]thiazole;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thieno[2,3-d][1,3]thiazole;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide

2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)-4H-cyclopenta[b]thiophene;2,5-di(propan-2-yl)furo[2,3-b]furan;3,7-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d][1,3]oxazole;2,5-di(propan-2-yl)-[1,3]oxazolo[5,4-d][1,3]oxazole;2,6-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d][1,3]thiazole;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thieno[2,3-d][1,3]thiazole;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide (PubChem CID 159971129) has the molecular formula C195H273N13O8S14 and a molecular weight of 3376.35 g/mol. Its IUPAC name is 2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)-4H-cyclopenta[b]thiophene;2,5-di(propan-2-yl)furo[2,3-b]furan;3,7-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d][1,3]oxazole;2,5-di(propan-2-yl)-[1,3]oxazolo[5,4-d][1,3]oxazole;2,6-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d][1,3]thiazole;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thieno[2,3-d][1,3]thiazole;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide.

Molecular Properties

Compound Name2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)-4H-cyclopenta[b]thiophene;2,5-di(propan-2-yl)furo[2,3-b]furan;3,7-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d][1,3]oxazole;2,5-di(propan-2-yl)-[1,3]oxazolo[5,4-d][1,3]oxazole;2,6-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d][1,3]thiazole;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thieno[2,3-d][1,3]thiazole;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide
PubChem CID159971129
Molecular FormulaC195H273N13O8S14
Molecular Weight3376.35 g/mol
Exact Mass3372.74
IUPAC Name2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)-4H-cyclopenta[b]thiophene;2,5-di(propan-2-yl)furo[2,3-b]furan;3,7-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d][1,3]oxazole;2,5-di(propan-2-yl)-[1,3]oxazolo[5,4-d][1,3]oxazole;2,6-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d][1,3]thiazole;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thieno[2,3-d][1,3]thiazole;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide
SMILESCC(C)(C)C1=Nc2sc(C(C)(C)C)cc2C1.CC(C)C1=CCC(C(C)C)CC1.CC(C)C1=Cc2sc(C(C)C)cc2C1.CC(C)c1cc2c(s1)CN(C(C)C)S2(=O)=O.CC(C)c1cc2cc(C(C)C)oc2o1.CC(C)c1cc2cc(C(C)C)sc2s1.CC(C)c1cc2sc(C(C)C)cc2s1.CC(C)c1cc2sc(C(C)C)nc2s1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc2cc(C(C)C)ccc2c1.CC(C)c1ccc2cc(C(C)C)ncc2c1.CC(C)c1ccc2nc(C(C)C)ccc2c1.CC(C)c1nc2nc(C(C)C)oc2o1.CC(C)c1nc2nc(C(C)C)sc2s1.CC(C)c1nc2oc(C(C)C)nc2o1.CC(C)c1nc2sc(C(C)C)nc2s1
InChIInChI=1S/C16H20.2C15H19N.C14H21NS.C13H18S.C12H16O2.2C12H16S2.C12H22.C12H18.C11H17NO2S2.C11H15NS2.2C10H14N2O2.2C10H14N2S2/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-10(2)12-5-8-15-13(9-12)6-7-14(16-15)11(3)4;1-10(2)12-5-6-13-8-15(11(3)4)16-9-14(13)7-12;1-13(2,3)10-7-9-8-11(14(4,5)6)16-12(9)15-10;1-8(2)10-5-11-7-12(9(3)4)14-13(11)6-10;1-7(2)10-5-9-6-11(8(3)4)14-12(9)13-10;1-7(2)9-5-11-12(13-9)6-10(14-11)8(3)4;1-7(2)10-5-9-6-11(8(3)4)14-12(9)13-10;2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-5-11-10(15-9)6-12(8(3)4)16(11,13)14;1-6(2)8-5-9-11(13-8)12-10(14-9)7(3)4;1-5(2)8-11-7-10(13-8)14-9(12-7)6(3)4;1-5(2)7-11-9-10(13-7)12-8(14-9)6(3)4;1-5(2)8-11-7-10(13-8)14-9(12-7)6(3)4;1-5(2)7-11-9-10(13-7)12-8(14-9)6(3)4/h5-12H,1-4H3;2*5-11H,1-4H3;8H,7H2,1-6H3;6-9H,5H2,1-4H3;3*5-8H,1-4H3;5,9-10,12H,6-8H2,1-4H3;5-10H,1-4H3;5,7-8H,6H2,1-4H3;5-7H,1-4H3;4*5-6H,1-4H3
InChIKeyOEOFCKJMZAEJLH-UHFFFAOYSA-N
XLogP67.40
TPSA270.37 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds30
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003376.35
LogP ≤ 567.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)-4H-cyclopenta[b]thiophene;2,5-di(propan-2-yl)furo[2,3-b]furan;3,7-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d][1,3]oxazole;2,5-di(propan-2-yl)-[1,3]oxazolo[5,4-d][1,3]oxazole;2,6-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d][1,3]thiazole;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thieno[2,3-d][1,3]thiazole;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide with MolForge

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Related Compounds

5-tert-butyl-2-propan-2-ylthieno[3,2-b]thiophene;2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;2,5-ditert-butylthieno[2,3-d][1,3]thiazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide
CID 158331808
2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide
CID 90310288
2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-yl-1H-indene;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 159787214
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline
CID 159294253
5-tert-butyl-2-propan-2-ylpyridine;1,4-di(propan-2-yl)benzene;1,5-di(propan-2-yl)benzimidazole;3,6-di(propan-2-yl)-1H-benzimidazol-2-one;2,5-di(propan-2-yl)-1-benzofuran;1,5-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)indazole;1,5-di(propan-2-yl)indole;2,6-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)quinoline;2,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline
CID 159136896
5-chloro-2-propan-2-ylpyridine;cumene;5-fluoro-2-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-5-(2,2,2-trifluoroethyl)pyridine
CID 159749726
cumene;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-phenyl-2-propan-2-yl-1,3-thiazole;2-methylpropane;1-methyl-2-propan-2-ylbenzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;bis(pyridine)
CID 158117089
tert-butylbenzene;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 161094804
3,6-di(propan-2-yl)-2H-chromene;2,7-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)quinoline;2,7-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 161438279
N-[(2S)-2-[[(2S)-2-(butanoylamino)-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanoyl]amino]-2-cyclopentylethyl]-2-(morpholin-4-ylmethyl)prop-2-enamide
CID 147221508
5-[4-methyl-4-(5-propan-2-yl-1-benzothiophen-2-yl)pentan-2-yl]-2-propan-2-ylthieno[2,3-b]pyridine
CID 170184963
N-[(2S)-2-cyclopentyl-2-[[(2S)-2-(propanoylamino)-3-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanoyl]amino]ethyl]-2-(morpholin-4-ylmethyl)prop-2-enamide
CID 148796940

Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)-4H-cyclopenta[b]thiophene;2,5-di(propan-2-yl)furo[2,3-b]furan;3,7-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d][1,3]oxazole;2,5-di(propan-2-yl)-[1,3]oxazolo[5,4-d][1,3]oxazole;2,6-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d][1,3]thiazole;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thieno[2,3-d][1,3]thiazole;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide?
The IUPAC name of 2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)-4H-cyclopenta[b]thiophene;2,5-di(propan-2-yl)furo[2,3-b]furan;3,7-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d][1,3]oxazole;2,5-di(propan-2-yl)-[1,3]oxazolo[5,4-d][1,3]oxazole;2,6-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d][1,3]thiazole;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thieno[2,3-d][1,3]thiazole;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide (CID 159971129) is 2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)-4H-cyclopenta[b]thiophene;2,5-di(propan-2-yl)furo[2,3-b]furan;3,7-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d][1,3]oxazole;2,5-di(propan-2-yl)-[1,3]oxazolo[5,4-d][1,3]oxazole;2,6-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d][1,3]thiazole;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thieno[2,3-d][1,3]thiazole;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide.
What is the SMILES notation for 2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)-4H-cyclopenta[b]thiophene;2,5-di(propan-2-yl)furo[2,3-b]furan;3,7-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d][1,3]oxazole;2,5-di(propan-2-yl)-[1,3]oxazolo[5,4-d][1,3]oxazole;2,6-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d][1,3]thiazole;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thieno[2,3-d][1,3]thiazole;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide?
The canonical SMILES for 2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)-4H-cyclopenta[b]thiophene;2,5-di(propan-2-yl)furo[2,3-b]furan;3,7-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d][1,3]oxazole;2,5-di(propan-2-yl)-[1,3]oxazolo[5,4-d][1,3]oxazole;2,6-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d][1,3]thiazole;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thieno[2,3-d][1,3]thiazole;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide is CC(C)(C)C1=Nc2sc(C(C)(C)C)cc2C1.CC(C)C1=CCC(C(C)C)CC1.CC(C)C1=Cc2sc(C(C)C)cc2C1.CC(C)c1cc2c(s1)CN(C(C)C)S2(=O)=O.CC(C)c1cc2cc(C(C)C)oc2o1.CC(C)c1cc2cc(C(C)C)sc2s1.CC(C)c1cc2sc(C(C)C)cc2s1.CC(C)c1cc2sc(C(C)C)nc2s1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc2cc(C(C)C)ccc2c1.CC(C)c1ccc2cc(C(C)C)ncc2c1.CC(C)c1ccc2nc(C(C)C)ccc2c1.CC(C)c1nc2nc(C(C)C)oc2o1.CC(C)c1nc2nc(C(C)C)sc2s1.CC(C)c1nc2oc(C(C)C)nc2o1.CC(C)c1nc2sc(C(C)C)nc2s1.
What is the InChIKey of 2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)-4H-cyclopenta[b]thiophene;2,5-di(propan-2-yl)furo[2,3-b]furan;3,7-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d][1,3]oxazole;2,5-di(propan-2-yl)-[1,3]oxazolo[5,4-d][1,3]oxazole;2,6-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d][1,3]thiazole;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thieno[2,3-d][1,3]thiazole;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide?
The InChIKey is OEOFCKJMZAEJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20.2C15H19N.C14H21NS.C13H18S.C12H16O2.2C12H16S2.C12H22.C12H18.C11H17NO2S2.C11H15NS2.2C10H14N2O2.2C10H14N2S2/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-10(2)12-5-8-15-13(9-12)6-7-14(16-15)11(3)4;1-10(2)12-5-6-13-8-15(11(3)4)16-9-14(13)7-12;1-13(2,3)10-7-9-8-11(14(4,5)6)16-12(9)15-10;1-8(2)10-5-11-7-12(9(3)4)14-13(11)6-10;1-7(2)10-5-9-6-11(8(3)4)14-12(9)13-10;1-7(2)9-5-11-12(13-9)6-10(14-11)8(3)4;1-7(2)10-5-9-6-11(8(3)4)14-12(9)13-10;2*1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-5-11-10(15-9)6-12(8(3)4)16(11,13)14;1-6(2)8-5-9-11(13-8)12-10(14-9)7(3)4;1-5(2)8-11-7-10(13-8)14-9(12-7)6(3)4;1-5(2)7-11-9-10(13-7)12-8(14-9)6(3)4;1-5(2)8-11-7-10(13-8)14-9(12-7)6(3)4;1-5(2)7-11-9-10(13-7)12-8(14-9)6(3)4/h5-12H,1-4H3;2*5-11H,1-4H3;8H,7H2,1-6H3;6-9H,5H2,1-4H3;3*5-8H,1-4H3;5,9-10,12H,6-8H2,1-4H3;5-10H,1-4H3;5,7-8H,6H2,1-4H3;5-7H,1-4H3;4*5-6H,1-4H3.
What are the key properties of 2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)-4H-cyclopenta[b]thiophene;2,5-di(propan-2-yl)furo[2,3-b]furan;3,7-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d][1,3]oxazole;2,5-di(propan-2-yl)-[1,3]oxazolo[5,4-d][1,3]oxazole;2,6-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d][1,3]thiazole;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thieno[2,3-d][1,3]thiazole;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide?
2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)-4H-cyclopenta[b]thiophene;2,5-di(propan-2-yl)furo[2,3-b]furan;3,7-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d][1,3]oxazole;2,5-di(propan-2-yl)-[1,3]oxazolo[5,4-d][1,3]oxazole;2,6-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d][1,3]thiazole;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thieno[2,3-d][1,3]thiazole;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide has a molecular weight of 3376.35 g/mol, XLogP of 67.40, 30 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-4H-thieno[2,3-b]pyrrole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexene;2,5-di(propan-2-yl)-4H-cyclopenta[b]thiophene;2,5-di(propan-2-yl)furo[2,3-b]furan;3,7-di(propan-2-yl)isoquinoline;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d][1,3]oxazole;2,5-di(propan-2-yl)-[1,3]oxazolo[5,4-d][1,3]oxazole;2,6-di(propan-2-yl)quinoline;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d][1,3]thiazole;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole;2,5-di(propan-2-yl)thieno[2,3-b]thiophene;2,5-di(propan-2-yl)thieno[3,2-b]thiophene;2,5-di(propan-2-yl)thieno[2,3-d][1,3]thiazole;2,5-di(propan-2-yl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide is sourced from PubChem (CID 159971129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).