cyclopentanone;5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;ethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylate

C61H69N15O7S4 — CID 165080981

About cyclopentanone;5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;ethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylate

cyclopentanone;5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;ethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylate (PubChem CID 165080981) has the molecular formula C61H69N15O7S4 and a molecular weight of 1252.59 g/mol. Its IUPAC name is cyclopentanone;5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;ethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylate.

Molecular Properties

• Compound Name: cyclopentanone;5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;ethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylate
• PubChem CID: 165080981
• Molecular Formula: C61H69N15O7S4
• Molecular Weight: 1252.59 g/mol
• Exact Mass: 1251.44
• IUPAC Name: cyclopentanone;5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;ethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylate
• SMILES: CCOC(=O)c1ccc2c(c1)nc(Nc1nc3c(s1)CCC3)n2C.COCCNC(=O)c1ccc2c(c1)nc(Nc1nc3c(s1)CCC3)n2C.Cn1c(Nc2nc3c(s2)CCC3)nc2cc(C(=O)O)ccc21.Nc1nc2c(s1)CCC2.O=C1CCCC1
• InChI: InChI=1S/C18H21N5O2S.C17H18N4O2S.C15H14N4O2S.C6H8N2S.C5H8O/c1-23-14-7-6-11(16(24)19-8-9-25-2)10-13(14)20-17(23)22-18-21-12-4-3-5-15(12)26-18;1-3-23-15(22)10-7-8-13-12(9-10)18-16(21(13)2)20-17-19-11-5-4-6-14(11)24-17;1-19-11-6-5-8(13(20)21)7-10(11)16-14(19)18-15-17-9-3-2-4-12(9)22-15;7-6-8-4-2-1-3-5(4)9-6;6-5-3-1-2-4-5/h6-7,10H,3-5,8-9H2,1-2H3,(H,19,24)(H,20,21,22);7-9H,3-6H2,1-2H3,(H,18,19,20);5-7H,2-4H2,1H3,(H,20,21)(H,16,17,18);1-3H2,(H2,7,8);1-4H2
• InChIKey: VCTFFCITSOCBBQ-UHFFFAOYSA-N
• XLogP: 11.38
• TPSA: 286.13 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 13
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1252.59
LogP ≤ 5	11.38
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclopentanone;5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;ethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylate?

The IUPAC name of cyclopentanone;5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;ethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylate (CID 165080981) is cyclopentanone;5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;ethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylate.

What is the SMILES notation for cyclopentanone;5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;ethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylate?

The canonical SMILES for cyclopentanone;5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;ethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylate is CCOC(=O)c1ccc2c(c1)nc(Nc1nc3c(s1)CCC3)n2C.COCCNC(=O)c1ccc2c(c1)nc(Nc1nc3c(s1)CCC3)n2C.Cn1c(Nc2nc3c(s2)CCC3)nc2cc(C(=O)O)ccc21.Nc1nc2c(s1)CCC2.O=C1CCCC1.

What is the InChIKey of cyclopentanone;5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;ethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylate?

The InChIKey is VCTFFCITSOCBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S.C17H18N4O2S.C15H14N4O2S.C6H8N2S.C5H8O/c1-23-14-7-6-11(16(24)19-8-9-25-2)10-13(14)20-17(23)22-18-21-12-4-3-5-15(12)26-18;1-3-23-15(22)10-7-8-13-12(9-10)18-16(21(13)2)20-17-19-11-5-4-6-14(11)24-17;1-19-11-6-5-8(13(20)21)7-10(11)16-14(19)18-15-17-9-3-2-4-12(9)22-15;7-6-8-4-2-1-3-5(4)9-6;6-5-3-1-2-4-5/h6-7,10H,3-5,8-9H2,1-2H3,(H,19,24)(H,20,21,22);7-9H,3-6H2,1-2H3,(H,18,19,20);5-7H,2-4H2,1H3,(H,20,21)(H,16,17,18);1-3H2,(H2,7,8);1-4H2.

What are the key properties of cyclopentanone;5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;ethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylate?

cyclopentanone;5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;ethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylate has a molecular weight of 1252.59 g/mol, XLogP of 11.38, 13 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentanone;5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;ethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylate is sourced from PubChem (CID 165080981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).