5-[5-[(1R)-1-[bis(2-methoxyethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile

C155H161N27O11S6 — CID 161125080

IUPAC5-[5-[(1R)-1-[bis(2-methoxyethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile
SMILESCC(=O)CN[C@@H]1CCc2c(-c3nnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.CC(=O)CN[C@H]1CCc2c(-c3nnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.CC(C)Oc1ccc(-c2nnc(-c3cccc4c3CC[C@@H]4NCC3=NC=CC3)s2)cc1C#N.CC(C)Oc1ccc(-c2nnc(-c3cccc4c3CC[C@H]4NCC(=O)N3CCCCC3)s2)cc1C#N.CC(C)Oc1ccc(-c2nnc(-c3cccc4c3CC[C@H]4NCC3=NC=CC3)s2)cc1C#N.COCCN(CCOC)[C@@H]1CCc2c(-c3nnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21
InChIInChI=1S/C28H31N5O2S.C27H32N4O3S.2C26H25N5OS.2C24H24N4O2S/c1-18(2)35-25-12-9-19(15-20(25)16-29)27-31-32-28(36-27)23-8-6-7-22-21(23)10-11-24(22)30-17-26(34)33-13-4-3-5-14-33;1-18(2)34-25-11-8-19(16-20(25)17-28)26-29-30-27(35-26)23-7-5-6-22-21(23)9-10-24(22)31(12-14-32-3)13-15-33-4;2*1-16(2)32-24-11-8-17(13-18(24)14-27)25-30-31-26(33-25)22-7-3-6-21-20(22)9-10-23(21)29-15-19-5-4-12-28-19;2*1-14(2)30-22-10-7-16(11-17(22)12-25)23-27-28-24(31-23)20-6-4-5-19-18(20)8-9-21(19)26-13-15(3)29/h6-9,12,15,18,24,30H,3-5,10-11,13-14,17H2,1-2H3;5-8,11,16,18,24H,9-10,12-15H2,1-4H3;2*3-4,6-8,11-13,16,23,29H,5,9-10,15H2,1-2H3;2*4-7,10-11,14,21,26H,8-9,13H2,1-3H3/t2*24-;2*23-;2*21-/m111010/s1
InChIKeyULLMHDVKLYYYJV-IEAOAWKUSA-N
MW2770.57 g/mol
LogP30.56
Rot. Bonds46

About 5-[5-[(1R)-1-[bis(2-methoxyethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile

5-[5-[(1R)-1-[bis(2-methoxyethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile (PubChem CID 161125080) has the molecular formula C155H161N27O11S6 and a molecular weight of 2770.57 g/mol. Its IUPAC name is 5-[5-[(1R)-1-[bis(2-methoxyethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile.

Molecular Properties

Compound Name5-[5-[(1R)-1-[bis(2-methoxyethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile
PubChem CID161125080
Molecular FormulaC155H161N27O11S6
Molecular Weight2770.57 g/mol
Exact Mass2768.12
IUPAC Name5-[5-[(1R)-1-[bis(2-methoxyethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile
SMILESCC(=O)CN[C@@H]1CCc2c(-c3nnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.CC(=O)CN[C@H]1CCc2c(-c3nnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.CC(C)Oc1ccc(-c2nnc(-c3cccc4c3CC[C@@H]4NCC3=NC=CC3)s2)cc1C#N.CC(C)Oc1ccc(-c2nnc(-c3cccc4c3CC[C@H]4NCC(=O)N3CCCCC3)s2)cc1C#N.CC(C)Oc1ccc(-c2nnc(-c3cccc4c3CC[C@H]4NCC3=NC=CC3)s2)cc1C#N.COCCN(CCOC)[C@@H]1CCc2c(-c3nnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21
InChIInChI=1S/C28H31N5O2S.C27H32N4O3S.2C26H25N5OS.2C24H24N4O2S/c1-18(2)35-25-12-9-19(15-20(25)16-29)27-31-32-28(36-27)23-8-6-7-22-21(23)10-11-24(22)30-17-26(34)33-13-4-3-5-14-33;1-18(2)34-25-11-8-19(16-20(25)17-28)26-29-30-27(35-26)23-7-5-6-22-21(23)9-10-24(22)31(12-14-32-3)13-15-33-4;2*1-16(2)32-24-11-8-17(13-18(24)14-27)25-30-31-26(33-25)22-7-3-6-21-20(22)9-10-23(21)29-15-19-5-4-12-28-19;2*1-14(2)30-22-10-7-16(11-17(22)12-25)23-27-28-24(31-23)20-6-4-5-19-18(20)8-9-21(19)26-13-15(3)29/h6-9,12,15,18,24,30H,3-5,10-11,13-14,17H2,1-2H3;5-8,11,16,18,24H,9-10,12-15H2,1-4H3;2*3-4,6-8,11-13,16,23,29H,5,9-10,15H2,1-2H3;2*4-7,10-11,14,21,26H,8-9,13H2,1-3H3/t2*24-;2*23-;2*21-/m111010/s1
InChIKeyULLMHDVKLYYYJV-IEAOAWKUSA-N
XLogP30.56
TPSA513.82 Ų
H-Bond Donors5
H-Bond Acceptors43
Rotatable Bonds46
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002770.57
LogP ≤ 530.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1043

Analyze 5-[5-[(1R)-1-[bis(2-methoxyethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1R)-1-[bis(2-methoxyethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile?
The IUPAC name of 5-[5-[(1R)-1-[bis(2-methoxyethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile (CID 161125080) is 5-[5-[(1R)-1-[bis(2-methoxyethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile.
What is the SMILES notation for 5-[5-[(1R)-1-[bis(2-methoxyethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile?
The canonical SMILES for 5-[5-[(1R)-1-[bis(2-methoxyethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile is CC(=O)CN[C@@H]1CCc2c(-c3nnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.CC(=O)CN[C@H]1CCc2c(-c3nnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.CC(C)Oc1ccc(-c2nnc(-c3cccc4c3CC[C@@H]4NCC3=NC=CC3)s2)cc1C#N.CC(C)Oc1ccc(-c2nnc(-c3cccc4c3CC[C@H]4NCC(=O)N3CCCCC3)s2)cc1C#N.CC(C)Oc1ccc(-c2nnc(-c3cccc4c3CC[C@H]4NCC3=NC=CC3)s2)cc1C#N.COCCN(CCOC)[C@@H]1CCc2c(-c3nnc(-c4ccc(OC(C)C)c(C#N)c4)s3)cccc21.
What is the InChIKey of 5-[5-[(1R)-1-[bis(2-methoxyethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile?
The InChIKey is ULLMHDVKLYYYJV-IEAOAWKUSA-N. The full InChI is InChI=1S/C28H31N5O2S.C27H32N4O3S.2C26H25N5OS.2C24H24N4O2S/c1-18(2)35-25-12-9-19(15-20(25)16-29)27-31-32-28(36-27)23-8-6-7-22-21(23)10-11-24(22)30-17-26(34)33-13-4-3-5-14-33;1-18(2)34-25-11-8-19(16-20(25)17-28)26-29-30-27(35-26)23-7-5-6-22-21(23)9-10-24(22)31(12-14-32-3)13-15-33-4;2*1-16(2)32-24-11-8-17(13-18(24)14-27)25-30-31-26(33-25)22-7-3-6-21-20(22)9-10-23(21)29-15-19-5-4-12-28-19;2*1-14(2)30-22-10-7-16(11-17(22)12-25)23-27-28-24(31-23)20-6-4-5-19-18(20)8-9-21(19)26-13-15(3)29/h6-9,12,15,18,24,30H,3-5,10-11,13-14,17H2,1-2H3;5-8,11,16,18,24H,9-10,12-15H2,1-4H3;2*3-4,6-8,11-13,16,23,29H,5,9-10,15H2,1-2H3;2*4-7,10-11,14,21,26H,8-9,13H2,1-3H3/t2*24-;2*23-;2*21-/m111010/s1.
What are the key properties of 5-[5-[(1R)-1-[bis(2-methoxyethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile?
5-[5-[(1R)-1-[bis(2-methoxyethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile has a molecular weight of 2770.57 g/mol, XLogP of 30.56, 46 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1R)-1-[bis(2-methoxyethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-[(2-oxo-2-piperidin-1-ylethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1R)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;5-[5-[(1S)-1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[5-[(1R)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile;2-propan-2-yloxy-5-[5-[(1S)-1-(3H-pyrrol-2-ylmethylamino)-2,3-dihydro-1H-inden-4-yl]-1,3,4-thiadiazol-2-yl]benzonitrile is sourced from PubChem (CID 161125080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).