cyclopentanone;5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]ethanone;1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]pentan-1-one

C61H68N14O5S4 — CID 157436107

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)-1-methylbenzimidazole-5-carboxylic acid;1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]ethanone;1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]pentan-1-one

cyclopentanone;5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]ethanone;1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]pentan-1-one (PubChem CID 157436107) has the molecular formula C61H68N14O5S4 and a molecular weight of 1205.58 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)-1-methylbenzimidazole-5-carboxylic acid;1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]ethanone;1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]pentan-1-one.

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)-1-methylbenzimidazole-5-carboxylic acid;1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]ethanone;1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]pentan-1-one
• PubChem CID: 157436107
• Molecular Formula: C61H68N14O5S4
• Molecular Weight: 1205.58 g/mol
• Exact Mass: 1204.44
• 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)-1-methylbenzimidazole-5-carboxylic acid;1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]ethanone;1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]pentan-1-one
• SMILES: CC(=O)c1ccc2c(c1)nc(Nc1nc3c(s1)CCC3)n2C.CCCCC(=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/C19H22N4OS.C16H16N4OS.C15H14N4O2S.C6H8N2S.C5H8O/c1-3-4-7-16(24)12-9-10-15-14(11-12)20-18(23(15)2)22-19-21-13-6-5-8-17(13)25-19;1-9(21)10-6-7-13-12(8-10)17-15(20(13)2)19-16-18-11-4-3-5-14(11)22-16;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/h9-11H,3-8H2,1-2H3,(H,20,21,22);6-8H,3-5H2,1-2H3,(H,17,18,19);5-7H,2-4H2,1H3,(H,20,21)(H,16,17,18);1-3H2,(H2,7,8);1-4H2
• InChIKey: BRCSOAIQZNMNHO-UHFFFAOYSA-N
• XLogP: 13.40
• TPSA: 255.64 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1205.58
LogP ≤ 5	13.40
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

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)-1-methylbenzimidazole-5-carboxylic acid;1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]ethanone;1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]pentan-1-one?

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)-1-methylbenzimidazole-5-carboxylic acid;1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]ethanone;1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]pentan-1-one (CID 157436107) 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)-1-methylbenzimidazole-5-carboxylic acid;1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]ethanone;1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]pentan-1-one.

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)-1-methylbenzimidazole-5-carboxylic acid;1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]ethanone;1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]pentan-1-one?

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)-1-methylbenzimidazole-5-carboxylic acid;1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]ethanone;1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]pentan-1-one is CC(=O)c1ccc2c(c1)nc(Nc1nc3c(s1)CCC3)n2C.CCCCC(=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)-1-methylbenzimidazole-5-carboxylic acid;1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]ethanone;1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]pentan-1-one?

The InChIKey is BRCSOAIQZNMNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS.C16H16N4OS.C15H14N4O2S.C6H8N2S.C5H8O/c1-3-4-7-16(24)12-9-10-15-14(11-12)20-18(23(15)2)22-19-21-13-6-5-8-17(13)25-19;1-9(21)10-6-7-13-12(8-10)17-15(20(13)2)19-16-18-11-4-3-5-14(11)22-16;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/h9-11H,3-8H2,1-2H3,(H,20,21,22);6-8H,3-5H2,1-2H3,(H,17,18,19);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)-1-methylbenzimidazole-5-carboxylic acid;1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]ethanone;1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]pentan-1-one?

cyclopentanone;5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine;2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]ethanone;1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]pentan-1-one has a molecular weight of 1205.58 g/mol, XLogP of 13.40, 12 rotatable bonds, 5 hydrogen bond donors, and 22 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)-1-methylbenzimidazole-5-carboxylic acid;1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]ethanone;1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-methylbenzimidazol-5-yl]pentan-1-one is sourced from PubChem (CID 157436107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).