[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

C52H54F2N10O5S2 — CID 159148452

About [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (PubChem CID 159148452) has the molecular formula C52H54F2N10O5S2 and a molecular weight of 1001.20 g/mol. Its IUPAC name is [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
• PubChem CID: 159148452
• Molecular Formula: C52H54F2N10O5S2
• Molecular Weight: 1001.20 g/mol
• Exact Mass: 1000.37
• IUPAC Name: [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
• SMILES: O=C(O)c1ccc2c(c1)CCN2c1ccc(F)cc1.O=C(c1ccc2c(c1)CCN2c1ccc(F)cc1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1.O=C(c1nccs1)N1CCN(C2CNC2)CC1
• InChI: InChI=1S/C26H26FN5O2S.C15H12FNO2.C11H16N4OS/c27-20-2-4-21(5-3-20)32-9-7-18-15-19(1-6-23(18)32)25(33)31-16-22(17-31)29-10-12-30(13-11-29)26(34)24-28-8-14-35-24;16-12-2-4-13(5-3-12)17-8-7-10-9-11(15(18)19)1-6-14(10)17;16-11(10-13-1-6-17-10)15-4-2-14(3-5-15)9-7-12-8-9/h1-6,8,14-15,22H,7,9-13,16-17H2;1-6,9H,7-8H2,(H,18,19);1,6,9,12H,2-5,7-8H2
• InChIKey: KIZAIUKEMSMBOQ-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 149.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1001.20
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?

The IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (CID 159148452) is [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.

What is the SMILES notation for [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?

The canonical SMILES for [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is O=C(O)c1ccc2c(c1)CCN2c1ccc(F)cc1.O=C(c1ccc2c(c1)CCN2c1ccc(F)cc1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1.O=C(c1nccs1)N1CCN(C2CNC2)CC1.

What is the InChIKey of [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?

The InChIKey is KIZAIUKEMSMBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O2S.C15H12FNO2.C11H16N4OS/c27-20-2-4-21(5-3-20)32-9-7-18-15-19(1-6-23(18)32)25(33)31-16-22(17-31)29-10-12-30(13-11-29)26(34)24-28-8-14-35-24;16-12-2-4-13(5-3-12)17-8-7-10-9-11(15(18)19)1-6-14(10)17;16-11(10-13-1-6-17-10)15-4-2-14(3-5-15)9-7-12-8-9/h1-6,8,14-15,22H,7,9-13,16-17H2;1-6,9H,7-8H2,(H,18,19);1,6,9,12H,2-5,7-8H2.

What are the key properties of [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?

[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone has a molecular weight of 1001.20 g/mol, XLogP of 6.35, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid;[1-(4-fluorophenyl)-2,3-dihydroindol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 159148452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).