(1R)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;tris((1S)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);(1R)-7-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;(2R)-4-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2R)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2S)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis((5R)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);(5S)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5R)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5S)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(6R)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-4-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide

C168H248N40O16S16 — CID 159559716

IUPAC(1R)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;tris((1S)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);(1R)-7-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;(2R)-4-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2R)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2S)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis((5R)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);(5S)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5R)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5S)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(6R)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-4-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide
SMILES[H]N=[S@@]1(=O)CCc2cc(C(C)(C)C)ncc21.[H]N=[S@@]1(=O)CCc2ccnc(C(C)(C)C)c21.[H]N=[S@@]1(=O)CCc2nc(C(C)(C)C)ncc21.[H]N=[S@@]1(=O)CCc2nc(C(C)(C)C)ncc21.[H]N=[S@@]1(=O)CCc2ncnc(C(C)(C)C)c21.[H]N=[S@@]1(=O)Cc2ccnc(C(C)(C)C)c2C1.[H]N=[S@@]1(=O)Cc2cnc(C(C)(C)C)cc2C1.[H]N=[S@@]1(=O)Cc2cnc(C(C)(C)C)nc2C1.[H]N=[S@@]1(=O)Cc2ncnc(C(C)(C)C)c2C1.[H]N=[S@]1(=O)CCc2cc(C(C)(C)C)ncc21.[H]N=[S@]1(=O)CCc2cc(C(C)(C)C)ncc21.[H]N=[S@]1(=O)CCc2cc(C(C)(C)C)ncc21.[H]N=[S@]1(=O)CCc2nc(C(C)(C)C)ncc21.[H]N=[S@]1(=O)CCc2ncnc(C(C)(C)C)c21.[H]N=[S@]1(=O)Cc2cnc(C(C)(C)C)cc2C1.[H]N=[S@]1(=O)Cc2cnc(C(C)(C)C)nc2C1
InChIInChI=1S/8C11H16N2OS.8C10H15N3OS/c2*1-11(2,3)10-4-8-6-15(12,14)7-9(8)5-13-10;1-11(2,3)10-9-8(4-6-13-10)5-7-15(9,12)14;1-11(2,3)10-9-7-15(12,14)6-8(9)4-5-13-10;4*1-11(2,3)10-6-8-4-5-15(12,14)9(8)7-13-10;1-10(2,3)9-7-4-15(11,14)5-8(7)12-6-13-9;2*1-10(2,3)9-12-4-7-5-15(11,14)6-8(7)13-9;2*1-10(2,3)9-8-7(12-6-13-9)4-5-15(8,11)14;3*1-10(2,3)9-12-6-8-7(13-9)4-5-15(8,11)14/h2*4-5,12H,6-7H2,1-3H3;4,6,12H,5,7H2,1-3H3;4-5,12H,6-7H2,1-3H3;4*6-7,12H,4-5H2,1-3H3;6,11H,4-5H2,1-3H3;2*4,11H,5-6H2,1-3H3;5*6,11H,4-5H2,1-3H3/t16*15-/m1011100001010110/s1
InChIKeyMGLISRQKDYQLQR-DVHRPUPLSA-N
MW3597.17 g/mol
LogP33.21
Rot. Bonds

About (1R)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;tris((1S)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);(1R)-7-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;(2R)-4-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2R)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2S)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis((5R)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);(5S)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5R)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5S)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(6R)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-4-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide

(1R)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;tris((1S)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);(1R)-7-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;(2R)-4-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2R)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2S)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis((5R)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);(5S)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5R)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5S)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(6R)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-4-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide (PubChem CID 159559716) has the molecular formula C168H248N40O16S16 and a molecular weight of 3597.17 g/mol. Its IUPAC name is (1R)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;tris((1S)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);(1R)-7-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;(2R)-4-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2R)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2S)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis((5R)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);(5S)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5R)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5S)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(6R)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-4-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide.

Molecular Properties

Compound Name(1R)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;tris((1S)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);(1R)-7-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;(2R)-4-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2R)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2S)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis((5R)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);(5S)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5R)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5S)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(6R)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-4-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide
PubChem CID159559716
Molecular FormulaC168H248N40O16S16
Molecular Weight3597.17 g/mol
Exact Mass3593.54
IUPAC Name(1R)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;tris((1S)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);(1R)-7-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;(2R)-4-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2R)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2S)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis((5R)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);(5S)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5R)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5S)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(6R)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-4-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide
SMILES[H]N=[S@@]1(=O)CCc2cc(C(C)(C)C)ncc21.[H]N=[S@@]1(=O)CCc2ccnc(C(C)(C)C)c21.[H]N=[S@@]1(=O)CCc2nc(C(C)(C)C)ncc21.[H]N=[S@@]1(=O)CCc2nc(C(C)(C)C)ncc21.[H]N=[S@@]1(=O)CCc2ncnc(C(C)(C)C)c21.[H]N=[S@@]1(=O)Cc2ccnc(C(C)(C)C)c2C1.[H]N=[S@@]1(=O)Cc2cnc(C(C)(C)C)cc2C1.[H]N=[S@@]1(=O)Cc2cnc(C(C)(C)C)nc2C1.[H]N=[S@@]1(=O)Cc2ncnc(C(C)(C)C)c2C1.[H]N=[S@]1(=O)CCc2cc(C(C)(C)C)ncc21.[H]N=[S@]1(=O)CCc2cc(C(C)(C)C)ncc21.[H]N=[S@]1(=O)CCc2cc(C(C)(C)C)ncc21.[H]N=[S@]1(=O)CCc2nc(C(C)(C)C)ncc21.[H]N=[S@]1(=O)CCc2ncnc(C(C)(C)C)c21.[H]N=[S@]1(=O)Cc2cnc(C(C)(C)C)cc2C1.[H]N=[S@]1(=O)Cc2cnc(C(C)(C)C)nc2C1
InChIInChI=1S/8C11H16N2OS.8C10H15N3OS/c2*1-11(2,3)10-4-8-6-15(12,14)7-9(8)5-13-10;1-11(2,3)10-9-8(4-6-13-10)5-7-15(9,12)14;1-11(2,3)10-9-7-15(12,14)6-8(9)4-5-13-10;4*1-11(2,3)10-6-8-4-5-15(12,14)9(8)7-13-10;1-10(2,3)9-7-4-15(11,14)5-8(7)12-6-13-9;2*1-10(2,3)9-12-4-7-5-15(11,14)6-8(7)13-9;2*1-10(2,3)9-8-7(12-6-13-9)4-5-15(8,11)14;3*1-10(2,3)9-12-6-8-7(13-9)4-5-15(8,11)14/h2*4-5,12H,6-7H2,1-3H3;4,6,12H,5,7H2,1-3H3;4-5,12H,6-7H2,1-3H3;4*6-7,12H,4-5H2,1-3H3;6,11H,4-5H2,1-3H3;2*4,11H,5-6H2,1-3H3;5*6,11H,4-5H2,1-3H3/t16*15-/m1011100001010110/s1
InChIKeyMGLISRQKDYQLQR-DVHRPUPLSA-N
XLogP33.21
TPSA964.08 Ų
H-Bond Donors16
H-Bond Acceptors56
Rotatable Bonds
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003597.17
LogP ≤ 533.21
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1056

Analyze (1R)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;tris((1S)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);(1R)-7-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;(2R)-4-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2R)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2S)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis((5R)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);(5S)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5R)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5S)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(6R)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-4-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide with MolForge

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Launch Full Analysis

Related Compounds

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CID 163933794
6-Butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-ethylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 145448666
2-Butylsulfinyl-3-methyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine;2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridine;2-butylsulfinyl-4-pyrimidin-2-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-4-pyrimidin-5-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;10-butylsulfinyl-14-(1,3-thiazol-2-yl)-11-thia-4,6,8,13-tetrazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,9,12(16),13-heptaene
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6-(6-amino-3-pyridinyl)-2-[(S)-butylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine;6-(6-amino-3-pyridinyl)-2-[(R)-butylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine;6-(2-aminopyrimidin-5-yl)-2-[(S)-butylsulfinyl]-4-(4-fluorophenyl)thieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-6-(2-ethylpyrimidin-5-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-6-(2-ethylpyrimidin-5-yl)-4-phenylthieno[2,3-b]pyridin-3-amine
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2-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyridine;2-tert-butyl-4-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-2-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;4-tert-butyl-6-[(E)-2-(2,2-dimethylpropylsulfanyl)ethenyl]pyrimidine;2-tert-butyl-6-(2,2-dimethylpropylsulfanyl)pyridine;3-tert-butyl-2-(2,2-dimethylpropylsulfanyl)pyridine
CID 157266817
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Pentakis(iridium);4-phenyl-2-phenylpyridine;5-phenyl-2-phenylpyridine;pentakis(2-phenylpyridine);2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyridine;2-(3-pyridin-2-ylbenzene-4-id-1-yl)pyrimidine;2-(3-thiophen-3-ylbenzene-6-id-1-yl)pyridine
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4,6-Diphenyl-2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyrimidine;2,4-diphenyl-6-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]-1,3,5-triazine;2-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;3-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine;4-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]pyridine
CID 157456894
6-Butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-phenyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-4-phenyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
CID 157677224
4-(5-Hexylthiophen-2-yl)-6-[5-[5-[6-(5-hexylthiophen-2-yl)pyrimidin-4-yl]thiophen-2-yl]thiophen-2-yl]pyrimidine;3-thiophen-2-yl-6-[5-[5-(6-thiophen-2-ylpyridazin-3-yl)thiophen-2-yl]thiophen-2-yl]pyridazine;3-thiophen-2-yl-5-[5-[5-(5-thiophen-2-yl-3-pyridinyl)thiophen-2-yl]thiophen-2-yl]pyridine;4-thiophen-2-yl-6-[5-[5-(6-thiophen-2-ylpyrimidin-4-yl)thiophen-2-yl]thiophen-2-yl]pyrimidine
CID 157766564
4-Phenyl-2-[4-[1-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]cyclohexyl]phenyl]-6-pyridin-3-ylpyrimidine;4-phenyl-2-[4-[2-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]propan-2-yl]phenyl]-6-pyridin-2-ylpyrimidine;4-phenyl-2-[4-[1-[4-(4-phenyl-6-thiophen-2-ylpyrimidin-2-yl)phenyl]cyclohexyl]phenyl]-6-thiophen-2-ylpyrimidine;4-phenyl-2-[4-[2-[4-(4-phenyl-6-thiophen-2-ylpyrimidin-2-yl)phenyl]propan-2-yl]phenyl]-6-thiophen-2-ylpyrimidine
CID 157798216

Frequently Asked Questions

What is the IUPAC name of (1R)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;tris((1S)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);(1R)-7-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;(2R)-4-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2R)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2S)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis((5R)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);(5S)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5R)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5S)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(6R)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-4-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide?
The IUPAC name of (1R)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;tris((1S)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);(1R)-7-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;(2R)-4-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2R)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2S)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis((5R)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);(5S)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5R)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5S)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(6R)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-4-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide (CID 159559716) is (1R)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;tris((1S)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);(1R)-7-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;(2R)-4-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2R)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2S)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis((5R)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);(5S)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5R)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5S)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(6R)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-4-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide.
What is the SMILES notation for (1R)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;tris((1S)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);(1R)-7-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;(2R)-4-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2R)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2S)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis((5R)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);(5S)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5R)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5S)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(6R)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-4-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide?
The canonical SMILES for (1R)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;tris((1S)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);(1R)-7-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;(2R)-4-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2R)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2S)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis((5R)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);(5S)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5R)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5S)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(6R)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-4-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide is [H]N=[S@@]1(=O)CCc2cc(C(C)(C)C)ncc21.[H]N=[S@@]1(=O)CCc2ccnc(C(C)(C)C)c21.[H]N=[S@@]1(=O)CCc2nc(C(C)(C)C)ncc21.[H]N=[S@@]1(=O)CCc2nc(C(C)(C)C)ncc21.[H]N=[S@@]1(=O)CCc2ncnc(C(C)(C)C)c21.[H]N=[S@@]1(=O)Cc2ccnc(C(C)(C)C)c2C1.[H]N=[S@@]1(=O)Cc2cnc(C(C)(C)C)cc2C1.[H]N=[S@@]1(=O)Cc2cnc(C(C)(C)C)nc2C1.[H]N=[S@@]1(=O)Cc2ncnc(C(C)(C)C)c2C1.[H]N=[S@]1(=O)CCc2cc(C(C)(C)C)ncc21.[H]N=[S@]1(=O)CCc2cc(C(C)(C)C)ncc21.[H]N=[S@]1(=O)CCc2cc(C(C)(C)C)ncc21.[H]N=[S@]1(=O)CCc2nc(C(C)(C)C)ncc21.[H]N=[S@]1(=O)CCc2ncnc(C(C)(C)C)c21.[H]N=[S@]1(=O)Cc2cnc(C(C)(C)C)cc2C1.[H]N=[S@]1(=O)Cc2cnc(C(C)(C)C)nc2C1.
What is the InChIKey of (1R)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;tris((1S)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);(1R)-7-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;(2R)-4-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2R)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2S)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis((5R)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);(5S)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5R)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5S)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(6R)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-4-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide?
The InChIKey is MGLISRQKDYQLQR-DVHRPUPLSA-N. The full InChI is InChI=1S/8C11H16N2OS.8C10H15N3OS/c2*1-11(2,3)10-4-8-6-15(12,14)7-9(8)5-13-10;1-11(2,3)10-9-8(4-6-13-10)5-7-15(9,12)14;1-11(2,3)10-9-7-15(12,14)6-8(9)4-5-13-10;4*1-11(2,3)10-6-8-4-5-15(12,14)9(8)7-13-10;1-10(2,3)9-7-4-15(11,14)5-8(7)12-6-13-9;2*1-10(2,3)9-12-4-7-5-15(11,14)6-8(7)13-9;2*1-10(2,3)9-8-7(12-6-13-9)4-5-15(8,11)14;3*1-10(2,3)9-12-6-8-7(13-9)4-5-15(8,11)14/h2*4-5,12H,6-7H2,1-3H3;4,6,12H,5,7H2,1-3H3;4-5,12H,6-7H2,1-3H3;4*6-7,12H,4-5H2,1-3H3;6,11H,4-5H2,1-3H3;2*4,11H,5-6H2,1-3H3;5*6,11H,4-5H2,1-3H3/t16*15-/m1011100001010110/s1.
What are the key properties of (1R)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;tris((1S)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);(1R)-7-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;(2R)-4-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2R)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2S)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis((5R)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);(5S)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5R)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5S)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(6R)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-4-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide?
(1R)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;tris((1S)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);(1R)-7-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;(2R)-4-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2R)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2S)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis((5R)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);(5S)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5R)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5S)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(6R)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-4-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide has a molecular weight of 3597.17 g/mol, XLogP of 33.21, 0 rotatable bonds, 16 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;tris((1S)-5-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);(1R)-7-tert-butyl-1-imino-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;(2R)-4-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2R)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;(2S)-6-tert-butyl-2-imino-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;bis((5R)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);(5S)-2-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5R)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(5S)-4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;(6R)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;(6S)-4-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide is sourced from PubChem (CID 159559716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).