1-(3-chloro-2-fluorophenyl)cyclopropan-1-ol;1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-2-methylpiperidine-4-carboxylate;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;1,3-thiazol-2-amine

C100H106Br2Cl4F8N14O9S3 — CID 160590131

About 1-(3-chloro-2-fluorophenyl)cyclopropan-1-ol;1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-2-methylpiperidine-4-carboxylate;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;1,3-thiazol-2-amine

1-(3-chloro-2-fluorophenyl)cyclopropan-1-ol;1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-2-methylpiperidine-4-carboxylate;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;1,3-thiazol-2-amine (PubChem CID 160590131) has the molecular formula C100H106Br2Cl4F8N14O9S3 and a molecular weight of 2197.84 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)cyclopropan-1-ol;1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-2-methylpiperidine-4-carboxylate;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 1-(3-chloro-2-fluorophenyl)cyclopropan-1-ol;1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-2-methylpiperidine-4-carboxylate;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;1,3-thiazol-2-amine
• PubChem CID: 160590131
• Molecular Formula: C100H106Br2Cl4F8N14O9S3
• Molecular Weight: 2197.84 g/mol
• Exact Mass: 2192.44
• IUPAC Name: 1-(3-chloro-2-fluorophenyl)cyclopropan-1-ol;1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-2-methylpiperidine-4-carboxylate;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;1,3-thiazol-2-amine
• SMILES: CC1CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)O)CCN1C1(c2cccc(Cl)c2F)CC1.COC(=O)C1(Cc2nc(Br)ccc2F)CCN(C2(c3cccc(Cl)c3F)CC2)C(C)C1.COC(=O)C1(Cc2nc(Br)ccc2F)CCNC(C)C1.COC(=O)C1(Cc2nc(Nc3nccs3)ccc2F)CCN(C2(c3cccc(Cl)c3F)CC2)C(C)C1.Nc1nccs1.OC1(c2cccc(Cl)c2F)CC1
• InChI: InChI=1S/C26H27ClF2N4O2S.C25H25ClF2N4O2S.C23H24BrClF2N2O2.C14H18BrFN2O2.C9H8ClFO.C3H4N2S/c1-16-14-25(23(34)35-2,15-20-19(28)6-7-21(31-20)32-24-30-11-13-36-24)10-12-33(16)26(8-9-26)17-4-3-5-18(27)22(17)29;1-15-13-24(22(33)34,14-19-18(27)5-6-20(30-19)31-23-29-10-12-35-23)9-11-32(15)25(7-8-25)16-3-2-4-17(26)21(16)28;1-14-12-22(21(30)31-2,13-18-17(26)6-7-19(24)28-18)10-11-29(14)23(8-9-23)15-4-3-5-16(25)20(15)27;1-9-7-14(5-6-17-9,13(19)20-2)8-11-10(16)3-4-12(15)18-11;10-7-3-1-2-6(8(7)11)9(12)4-5-9;4-3-5-1-2-6-3/h3-7,11,13,16H,8-10,12,14-15H2,1-2H3,(H,30,31,32);2-6,10,12,15H,7-9,11,13-14H2,1H3,(H,33,34)(H,29,30,31);3-7,14H,8-13H2,1-2H3;3-4,9,17H,5-8H2,1-2H3;1-3,12H,4-5H2;1-2H,(H2,4,5)
• InChIKey: RCXCFIDEFUEKRM-UHFFFAOYSA-N
• XLogP: 23.38
• TPSA: 298.49 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 23
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2197.84
LogP ≤ 5	23.38
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)cyclopropan-1-ol;1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-2-methylpiperidine-4-carboxylate;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;1,3-thiazol-2-amine?

The IUPAC name of 1-(3-chloro-2-fluorophenyl)cyclopropan-1-ol;1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-2-methylpiperidine-4-carboxylate;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;1,3-thiazol-2-amine (CID 160590131) is 1-(3-chloro-2-fluorophenyl)cyclopropan-1-ol;1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-2-methylpiperidine-4-carboxylate;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;1,3-thiazol-2-amine.

What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)cyclopropan-1-ol;1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-2-methylpiperidine-4-carboxylate;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;1,3-thiazol-2-amine?

The canonical SMILES for 1-(3-chloro-2-fluorophenyl)cyclopropan-1-ol;1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-2-methylpiperidine-4-carboxylate;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;1,3-thiazol-2-amine is CC1CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)O)CCN1C1(c2cccc(Cl)c2F)CC1.COC(=O)C1(Cc2nc(Br)ccc2F)CCN(C2(c3cccc(Cl)c3F)CC2)C(C)C1.COC(=O)C1(Cc2nc(Br)ccc2F)CCNC(C)C1.COC(=O)C1(Cc2nc(Nc3nccs3)ccc2F)CCN(C2(c3cccc(Cl)c3F)CC2)C(C)C1.Nc1nccs1.OC1(c2cccc(Cl)c2F)CC1.

What is the InChIKey of 1-(3-chloro-2-fluorophenyl)cyclopropan-1-ol;1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-2-methylpiperidine-4-carboxylate;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;1,3-thiazol-2-amine?

The InChIKey is RCXCFIDEFUEKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClF2N4O2S.C25H25ClF2N4O2S.C23H24BrClF2N2O2.C14H18BrFN2O2.C9H8ClFO.C3H4N2S/c1-16-14-25(23(34)35-2,15-20-19(28)6-7-21(31-20)32-24-30-11-13-36-24)10-12-33(16)26(8-9-26)17-4-3-5-18(27)22(17)29;1-15-13-24(22(33)34,14-19-18(27)5-6-20(30-19)31-23-29-10-12-35-23)9-11-32(15)25(7-8-25)16-3-2-4-17(26)21(16)28;1-14-12-22(21(30)31-2,13-18-17(26)6-7-19(24)28-18)10-11-29(14)23(8-9-23)15-4-3-5-16(25)20(15)27;1-9-7-14(5-6-17-9,13(19)20-2)8-11-10(16)3-4-12(15)18-11;10-7-3-1-2-6(8(7)11)9(12)4-5-9;4-3-5-1-2-6-3/h3-7,11,13,16H,8-10,12,14-15H2,1-2H3,(H,30,31,32);2-6,10,12,15H,7-9,11,13-14H2,1H3,(H,33,34)(H,29,30,31);3-7,14H,8-13H2,1-2H3;3-4,9,17H,5-8H2,1-2H3;1-3,12H,4-5H2;1-2H,(H2,4,5).

What are the key properties of 1-(3-chloro-2-fluorophenyl)cyclopropan-1-ol;1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-2-methylpiperidine-4-carboxylate;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;1,3-thiazol-2-amine?

1-(3-chloro-2-fluorophenyl)cyclopropan-1-ol;1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-2-methylpiperidine-4-carboxylate;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;1,3-thiazol-2-amine has a molecular weight of 2197.84 g/mol, XLogP of 23.38, 23 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chloro-2-fluorophenyl)cyclopropan-1-ol;1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-2-methylpiperidine-4-carboxylate;methyl 4-[(6-bromo-3-fluoro-2-pyridinyl)methyl]-2-methylpiperidine-4-carboxylate;methyl 1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylate;1,3-thiazol-2-amine is sourced from PubChem (CID 160590131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).