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;2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-N-[2-(2-hydroxyethoxy)ethyl]-1-methylbenzimidazole-5-carboxamide;2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid;N-(5-ethyl-1-methylbenzimidazol-2-yl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine

C88H123N15O9S4Si — CID 165068482

About 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;2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-N-[2-(2-hydroxyethoxy)ethyl]-1-methylbenzimidazole-5-carboxamide;2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid;N-(5-ethyl-1-methylbenzimidazol-2-yl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine

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;2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-N-[2-(2-hydroxyethoxy)ethyl]-1-methylbenzimidazole-5-carboxamide;2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid;N-(5-ethyl-1-methylbenzimidazol-2-yl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine (PubChem CID 165068482) has the molecular formula C88H123N15O9S4Si and a molecular weight of 1691.40 g/mol. Its IUPAC name is 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;2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-N-[2-(2-hydroxyethoxy)ethyl]-1-methylbenzimidazole-5-carboxamide;2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid;N-(5-ethyl-1-methylbenzimidazol-2-yl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine.

Molecular Properties

• Compound Name: 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;2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-N-[2-(2-hydroxyethoxy)ethyl]-1-methylbenzimidazole-5-carboxamide;2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid;N-(5-ethyl-1-methylbenzimidazol-2-yl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine
• PubChem CID: 165068482
• Molecular Formula: C88H123N15O9S4Si
• Molecular Weight: 1691.40 g/mol
• Exact Mass: 1689.83
• IUPAC Name: 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;2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-N-[2-(2-hydroxyethoxy)ethyl]-1-methylbenzimidazole-5-carboxamide;2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid;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)NCCOCCO)ccc21.Cn1c(Nc2nc3c(s2)CC(C)(C)CC3)nc2cc(C(=O)O)ccc21.O=C=O
• InChI: InChI=1S/C22H29N5O3S.C19H24N4S.C18H20N4O2S.C11H22OSi.C9H14N2S.C8H14O.CO2/c1-22(2)7-6-15-18(13-22)31-21(25-15)26-20-24-16-12-14(4-5-17(16)27(20)3)19(29)23-8-10-30-11-9-28;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;1-18(2)7-6-11-14(9-18)25-17(20-11)21-16-19-12-8-10(15(23)24)4-5-13(12)22(16)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;2-1-3/h4-5,12,28H,6-11,13H2,1-3H3,(H,23,29)(H,24,25,26);6-7,10H,5,8-9,11H2,1-4H3,(H,20,21,22);4-5,8H,6-7,9H2,1-3H3,(H,23,24)(H,19,20,21);6H,7-9H2,1-5H3;3-5H2,1-2H3,(H2,10,11);3-6H2,1-2H3
• InChIKey: SIYXDUMUNLPNRU-UHFFFAOYSA-N
• XLogP: 19.61
• TPSA: 323.43 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1691.40
LogP ≤ 5	19.61
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

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 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;2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-N-[2-(2-hydroxyethoxy)ethyl]-1-methylbenzimidazole-5-carboxamide;2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid;N-(5-ethyl-1-methylbenzimidazol-2-yl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine?

The IUPAC name of 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;2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-N-[2-(2-hydroxyethoxy)ethyl]-1-methylbenzimidazole-5-carboxamide;2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid;N-(5-ethyl-1-methylbenzimidazol-2-yl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine (CID 165068482) is 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;2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-N-[2-(2-hydroxyethoxy)ethyl]-1-methylbenzimidazole-5-carboxamide;2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid;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 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;2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-N-[2-(2-hydroxyethoxy)ethyl]-1-methylbenzimidazole-5-carboxamide;2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid;N-(5-ethyl-1-methylbenzimidazol-2-yl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine?

The canonical SMILES for 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;2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-N-[2-(2-hydroxyethoxy)ethyl]-1-methylbenzimidazole-5-carboxamide;2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid;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)NCCOCCO)ccc21.Cn1c(Nc2nc3c(s2)CC(C)(C)CC3)nc2cc(C(=O)O)ccc21.O=C=O.

What is the InChIKey of 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;2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-N-[2-(2-hydroxyethoxy)ethyl]-1-methylbenzimidazole-5-carboxamide;2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid;N-(5-ethyl-1-methylbenzimidazol-2-yl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine?

The InChIKey is SIYXDUMUNLPNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3S.C19H24N4S.C18H20N4O2S.C11H22OSi.C9H14N2S.C8H14O.CO2/c1-22(2)7-6-15-18(13-22)31-21(25-15)26-20-24-16-12-14(4-5-17(16)27(20)3)19(29)23-8-10-30-11-9-28;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;1-18(2)7-6-11-14(9-18)25-17(20-11)21-16-19-12-8-10(15(23)24)4-5-13(12)22(16)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;2-1-3/h4-5,12,28H,6-11,13H2,1-3H3,(H,23,29)(H,24,25,26);6-7,10H,5,8-9,11H2,1-4H3,(H,20,21,22);4-5,8H,6-7,9H2,1-3H3,(H,23,24)(H,19,20,21);6H,7-9H2,1-5H3;3-5H2,1-2H3,(H2,10,11);3-6H2,1-2H3;.

What are the key properties of 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;2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-N-[2-(2-hydroxyethoxy)ethyl]-1-methylbenzimidazole-5-carboxamide;2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid;N-(5-ethyl-1-methylbenzimidazol-2-yl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine?

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;2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-N-[2-(2-hydroxyethoxy)ethyl]-1-methylbenzimidazole-5-carboxamide;2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid;N-(5-ethyl-1-methylbenzimidazol-2-yl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine has a molecular weight of 1691.40 g/mol, XLogP of 19.61, 16 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 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;2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-N-[2-(2-hydroxyethoxy)ethyl]-1-methylbenzimidazole-5-carboxamide;2-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylic acid;N-(5-ethyl-1-methylbenzimidazol-2-yl)-6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine is sourced from PubChem (CID 165068482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).