bis(carbon dioxide);4,4-dimethylcyclohexan-1-one;(4,4-dimethylcyclohexen-1-yl)oxy-trimethylsilane;6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine;1-[2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazol-5-yl]-4-(2-hydroxyethoxy)butan-1-one;6,6-dimethyl-N-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-1,3-benzothiazol-2-amine;N-(5-ethyl-1-methylbenzimidazol-2-yl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine

C89H124N14O9S4Si — CID 159338979

About bis(carbon dioxide);4,4-dimethylcyclohexan-1-one;(4,4-dimethylcyclohexen-1-yl)oxy-trimethylsilane;6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine;1-[2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazol-5-yl]-4-(2-hydroxyethoxy)butan-1-one;6,6-dimethyl-N-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-1,3-benzothiazol-2-amine;N-(5-ethyl-1-methylbenzimidazol-2-yl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine

bis(carbon dioxide);4,4-dimethylcyclohexan-1-one;(4,4-dimethylcyclohexen-1-yl)oxy-trimethylsilane;6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine;1-[2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazol-5-yl]-4-(2-hydroxyethoxy)butan-1-one;6,6-dimethyl-N-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-1,3-benzothiazol-2-amine;N-(5-ethyl-1-methylbenzimidazol-2-yl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine (PubChem CID 159338979) has the molecular formula C89H124N14O9S4Si and a molecular weight of 1690.41 g/mol. Its IUPAC name is bis(carbon dioxide);4,4-dimethylcyclohexan-1-one;(4,4-dimethylcyclohexen-1-yl)oxy-trimethylsilane;6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine;1-[2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazol-5-yl]-4-(2-hydroxyethoxy)butan-1-one;6,6-dimethyl-N-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-1,3-benzothiazol-2-amine;N-(5-ethyl-1-methylbenzimidazol-2-yl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine.

Molecular Properties

• Compound Name: bis(carbon dioxide);4,4-dimethylcyclohexan-1-one;(4,4-dimethylcyclohexen-1-yl)oxy-trimethylsilane;6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine;1-[2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazol-5-yl]-4-(2-hydroxyethoxy)butan-1-one;6,6-dimethyl-N-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-1,3-benzothiazol-2-amine;N-(5-ethyl-1-methylbenzimidazol-2-yl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine
• PubChem CID: 159338979
• Molecular Formula: C89H124N14O9S4Si
• Molecular Weight: 1690.41 g/mol
• Exact Mass: 1688.83
• IUPAC Name: bis(carbon dioxide);4,4-dimethylcyclohexan-1-one;(4,4-dimethylcyclohexen-1-yl)oxy-trimethylsilane;6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine;1-[2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazol-5-yl]-4-(2-hydroxyethoxy)butan-1-one;6,6-dimethyl-N-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-1,3-benzothiazol-2-amine;N-(5-ethyl-1-methylbenzimidazol-2-yl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine
• SMILES: CC1(C)CC=C(O[Si](C)(C)C)CC1.CC1(C)CCC(=O)CC1.CC1(C)CCc2nc(N)sc2C1.CCc1ccc2c(c1)nc(Nc1nc3c(s1)CC(C)(C)CC3)n2C.Cn1c(Nc2nc3c(s2)CC(C)(C)CC3)nc2cc(C(=O)CCCOCCO)ccc21.Cn1c(Nc2nc3c(s2)CC(C)(C)CC3)nc2ccccc21.O=C=O.O=C=O
• InChI: InChI=1S/C23H30N4O3S.C19H24N4S.C17H20N4S.C11H22OSi.C9H14N2S.C8H14O.2CO2/c1-23(2)9-8-16-20(14-23)31-22(25-16)26-21-24-17-13-15(6-7-18(17)27(21)3)19(29)5-4-11-30-12-10-28;1-5-12-6-7-15-14(10-12)20-17(23(15)4)22-18-21-13-8-9-19(2,3)11-16(13)24-18;1-17(2)9-8-12-14(10-17)22-16(19-12)20-15-18-11-6-4-5-7-13(11)21(15)3;1-11(2)8-6-10(7-9-11)12-13(3,4)5;1-9(2)4-3-6-7(5-9)12-8(10)11-6;1-8(2)5-3-7(9)4-6-8;2*2-1-3/h6-7,13,28H,4-5,8-12,14H2,1-3H3,(H,24,25,26);6-7,10H,5,8-9,11H2,1-4H3,(H,20,21,22);4-7H,8-10H2,1-3H3,(H,18,19,20);6H,7-9H2,1-5H3;3-5H2,1-2H3,(H2,10,11);3-6H2,1-2H3
• InChIKey: LFXAFERVNOHJTJ-UHFFFAOYSA-N
• XLogP: 20.56
• TPSA: 308.24 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 16
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1690.41
LogP ≤ 5	20.56
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);4,4-dimethylcyclohexan-1-one;(4,4-dimethylcyclohexen-1-yl)oxy-trimethylsilane;6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine;1-[2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazol-5-yl]-4-(2-hydroxyethoxy)butan-1-one;6,6-dimethyl-N-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-1,3-benzothiazol-2-amine;N-(5-ethyl-1-methylbenzimidazol-2-yl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine?

The IUPAC name of bis(carbon dioxide);4,4-dimethylcyclohexan-1-one;(4,4-dimethylcyclohexen-1-yl)oxy-trimethylsilane;6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine;1-[2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazol-5-yl]-4-(2-hydroxyethoxy)butan-1-one;6,6-dimethyl-N-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-1,3-benzothiazol-2-amine;N-(5-ethyl-1-methylbenzimidazol-2-yl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine (CID 159338979) is bis(carbon dioxide);4,4-dimethylcyclohexan-1-one;(4,4-dimethylcyclohexen-1-yl)oxy-trimethylsilane;6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine;1-[2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazol-5-yl]-4-(2-hydroxyethoxy)butan-1-one;6,6-dimethyl-N-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-1,3-benzothiazol-2-amine;N-(5-ethyl-1-methylbenzimidazol-2-yl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine.

What is the SMILES notation for bis(carbon dioxide);4,4-dimethylcyclohexan-1-one;(4,4-dimethylcyclohexen-1-yl)oxy-trimethylsilane;6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine;1-[2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazol-5-yl]-4-(2-hydroxyethoxy)butan-1-one;6,6-dimethyl-N-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-1,3-benzothiazol-2-amine;N-(5-ethyl-1-methylbenzimidazol-2-yl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine?

The canonical SMILES for bis(carbon dioxide);4,4-dimethylcyclohexan-1-one;(4,4-dimethylcyclohexen-1-yl)oxy-trimethylsilane;6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine;1-[2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazol-5-yl]-4-(2-hydroxyethoxy)butan-1-one;6,6-dimethyl-N-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-1,3-benzothiazol-2-amine;N-(5-ethyl-1-methylbenzimidazol-2-yl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine is CC1(C)CC=C(O[Si](C)(C)C)CC1.CC1(C)CCC(=O)CC1.CC1(C)CCc2nc(N)sc2C1.CCc1ccc2c(c1)nc(Nc1nc3c(s1)CC(C)(C)CC3)n2C.Cn1c(Nc2nc3c(s2)CC(C)(C)CC3)nc2cc(C(=O)CCCOCCO)ccc21.Cn1c(Nc2nc3c(s2)CC(C)(C)CC3)nc2ccccc21.O=C=O.O=C=O.

What is the InChIKey of bis(carbon dioxide);4,4-dimethylcyclohexan-1-one;(4,4-dimethylcyclohexen-1-yl)oxy-trimethylsilane;6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine;1-[2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazol-5-yl]-4-(2-hydroxyethoxy)butan-1-one;6,6-dimethyl-N-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-1,3-benzothiazol-2-amine;N-(5-ethyl-1-methylbenzimidazol-2-yl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine?

The InChIKey is LFXAFERVNOHJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3S.C19H24N4S.C17H20N4S.C11H22OSi.C9H14N2S.C8H14O.2CO2/c1-23(2)9-8-16-20(14-23)31-22(25-16)26-21-24-17-13-15(6-7-18(17)27(21)3)19(29)5-4-11-30-12-10-28;1-5-12-6-7-15-14(10-12)20-17(23(15)4)22-18-21-13-8-9-19(2,3)11-16(13)24-18;1-17(2)9-8-12-14(10-17)22-16(19-12)20-15-18-11-6-4-5-7-13(11)21(15)3;1-11(2)8-6-10(7-9-11)12-13(3,4)5;1-9(2)4-3-6-7(5-9)12-8(10)11-6;1-8(2)5-3-7(9)4-6-8;2*2-1-3/h6-7,13,28H,4-5,8-12,14H2,1-3H3,(H,24,25,26);6-7,10H,5,8-9,11H2,1-4H3,(H,20,21,22);4-7H,8-10H2,1-3H3,(H,18,19,20);6H,7-9H2,1-5H3;3-5H2,1-2H3,(H2,10,11);3-6H2,1-2H3;;.

What are the key properties of bis(carbon dioxide);4,4-dimethylcyclohexan-1-one;(4,4-dimethylcyclohexen-1-yl)oxy-trimethylsilane;6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine;1-[2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazol-5-yl]-4-(2-hydroxyethoxy)butan-1-one;6,6-dimethyl-N-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-1,3-benzothiazol-2-amine;N-(5-ethyl-1-methylbenzimidazol-2-yl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine?

bis(carbon dioxide);4,4-dimethylcyclohexan-1-one;(4,4-dimethylcyclohexen-1-yl)oxy-trimethylsilane;6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine;1-[2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazol-5-yl]-4-(2-hydroxyethoxy)butan-1-one;6,6-dimethyl-N-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-1,3-benzothiazol-2-amine;N-(5-ethyl-1-methylbenzimidazol-2-yl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine has a molecular weight of 1690.41 g/mol, XLogP of 20.56, 16 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for bis(carbon dioxide);4,4-dimethylcyclohexan-1-one;(4,4-dimethylcyclohexen-1-yl)oxy-trimethylsilane;6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine;1-[2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazol-5-yl]-4-(2-hydroxyethoxy)butan-1-one;6,6-dimethyl-N-(1-methylbenzimidazol-2-yl)-5,7-dihydro-4H-1,3-benzothiazol-2-amine;N-(5-ethyl-1-methylbenzimidazol-2-yl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine is sourced from PubChem (CID 159338979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).