[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;benzaldehyde;1-benzyl-2,3-dihydroindole-5-carboxylic acid;1-(1-benzyl-2,3-dihydroindol-5-yl)ethanone;(1-benzyl-2,3-dihydroindol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1-(2,3-dihydro-1H-indol-5-yl)ethanone

C88H94N12O8S2 — CID 159976592

IUPAC[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;benzaldehyde;1-benzyl-2,3-dihydroindole-5-carboxylic acid;1-(1-benzyl-2,3-dihydroindol-5-yl)ethanone;(1-benzyl-2,3-dihydroindol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1-(2,3-dihydro-1H-indol-5-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)CCN2.CC(=O)c1ccc2c(c1)CCN2Cc1ccccc1.O=C(O)c1ccc2c(c1)CCN2Cc1ccccc1.O=C(c1ccc2c(c1)CCN2Cc1ccccc1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1.O=C(c1nccs1)N1CCN(C2CNC2)CC1.O=Cc1ccccc1
InChIInChI=1S/C27H29N5O2S.C17H17NO.C16H15NO2.C11H16N4OS.C10H11NO.C7H6O/c33-26(22-6-7-24-21(16-22)8-10-31(24)17-20-4-2-1-3-5-20)32-18-23(19-32)29-11-13-30(14-12-29)27(34)25-28-9-15-35-25;1-13(19)15-7-8-17-16(11-15)9-10-18(17)12-14-5-3-2-4-6-14;18-16(19)14-6-7-15-13(10-14)8-9-17(15)11-12-4-2-1-3-5-12;16-11(10-13-1-6-17-10)15-4-2-14(3-5-15)9-7-12-8-9;1-7(12)8-2-3-10-9(6-8)4-5-11-10;8-6-7-4-2-1-3-5-7/h1-7,9,15-16,23H,8,10-14,17-19H2;2-8,11H,9-10,12H2,1H3;1-7,10H,8-9,11H2,(H,18,19);1,6,9,12H,2-5,7-8H2;2-3,6,11H,4-5H2,1H3;1-6H
InChIKeyOFFUJGSXZZNEMS-UHFFFAOYSA-N
MW1511.93 g/mol
LogP12.62
Rot. Bonds15

About [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;benzaldehyde;1-benzyl-2,3-dihydroindole-5-carboxylic acid;1-(1-benzyl-2,3-dihydroindol-5-yl)ethanone;(1-benzyl-2,3-dihydroindol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1-(2,3-dihydro-1H-indol-5-yl)ethanone

[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;benzaldehyde;1-benzyl-2,3-dihydroindole-5-carboxylic acid;1-(1-benzyl-2,3-dihydroindol-5-yl)ethanone;(1-benzyl-2,3-dihydroindol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1-(2,3-dihydro-1H-indol-5-yl)ethanone (PubChem CID 159976592) has the molecular formula C88H94N12O8S2 and a molecular weight of 1511.93 g/mol. Its IUPAC name is [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;benzaldehyde;1-benzyl-2,3-dihydroindole-5-carboxylic acid;1-(1-benzyl-2,3-dihydroindol-5-yl)ethanone;(1-benzyl-2,3-dihydroindol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1-(2,3-dihydro-1H-indol-5-yl)ethanone.

Molecular Properties

Compound Name[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;benzaldehyde;1-benzyl-2,3-dihydroindole-5-carboxylic acid;1-(1-benzyl-2,3-dihydroindol-5-yl)ethanone;(1-benzyl-2,3-dihydroindol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1-(2,3-dihydro-1H-indol-5-yl)ethanone
PubChem CID159976592
Molecular FormulaC88H94N12O8S2
Molecular Weight1511.93 g/mol
Exact Mass1510.68
IUPAC Name[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;benzaldehyde;1-benzyl-2,3-dihydroindole-5-carboxylic acid;1-(1-benzyl-2,3-dihydroindol-5-yl)ethanone;(1-benzyl-2,3-dihydroindol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1-(2,3-dihydro-1H-indol-5-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)CCN2.CC(=O)c1ccc2c(c1)CCN2Cc1ccccc1.O=C(O)c1ccc2c(c1)CCN2Cc1ccccc1.O=C(c1ccc2c(c1)CCN2Cc1ccccc1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1.O=C(c1nccs1)N1CCN(C2CNC2)CC1.O=Cc1ccccc1
InChIInChI=1S/C27H29N5O2S.C17H17NO.C16H15NO2.C11H16N4OS.C10H11NO.C7H6O/c33-26(22-6-7-24-21(16-22)8-10-31(24)17-20-4-2-1-3-5-20)32-18-23(19-32)29-11-13-30(14-12-29)27(34)25-28-9-15-35-25;1-13(19)15-7-8-17-16(11-15)9-10-18(17)12-14-5-3-2-4-6-14;18-16(19)14-6-7-15-13(10-14)8-9-17(15)11-12-4-2-1-3-5-12;16-11(10-13-1-6-17-10)15-4-2-14(3-5-15)9-7-12-8-9;1-7(12)8-2-3-10-9(6-8)4-5-11-10;8-6-7-4-2-1-3-5-7/h1-7,9,15-16,23H,8,10-14,17-19H2;2-8,11H,9-10,12H2,1H3;1-7,10H,8-9,11H2,(H,18,19);1,6,9,12H,2-5,7-8H2;2-3,6,11H,4-5H2,1H3;1-6H
InChIKeyOFFUJGSXZZNEMS-UHFFFAOYSA-N
XLogP12.62
TPSA215.48 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001511.93
LogP ≤ 512.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;benzaldehyde;1-benzyl-2,3-dihydroindole-5-carboxylic acid;1-(1-benzyl-2,3-dihydroindol-5-yl)ethanone;(1-benzyl-2,3-dihydroindol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1-(2,3-dihydro-1H-indol-5-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;benzaldehyde;1-benzyl-2,3-dihydroindole-5-carboxylic acid;1-(1-benzyl-2,3-dihydroindol-5-yl)ethanone;(1-benzyl-2,3-dihydroindol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1-(2,3-dihydro-1H-indol-5-yl)ethanone?
The IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;benzaldehyde;1-benzyl-2,3-dihydroindole-5-carboxylic acid;1-(1-benzyl-2,3-dihydroindol-5-yl)ethanone;(1-benzyl-2,3-dihydroindol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1-(2,3-dihydro-1H-indol-5-yl)ethanone (CID 159976592) is [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;benzaldehyde;1-benzyl-2,3-dihydroindole-5-carboxylic acid;1-(1-benzyl-2,3-dihydroindol-5-yl)ethanone;(1-benzyl-2,3-dihydroindol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1-(2,3-dihydro-1H-indol-5-yl)ethanone.
What is the SMILES notation for [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;benzaldehyde;1-benzyl-2,3-dihydroindole-5-carboxylic acid;1-(1-benzyl-2,3-dihydroindol-5-yl)ethanone;(1-benzyl-2,3-dihydroindol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1-(2,3-dihydro-1H-indol-5-yl)ethanone?
The canonical SMILES for [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;benzaldehyde;1-benzyl-2,3-dihydroindole-5-carboxylic acid;1-(1-benzyl-2,3-dihydroindol-5-yl)ethanone;(1-benzyl-2,3-dihydroindol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1-(2,3-dihydro-1H-indol-5-yl)ethanone is CC(=O)c1ccc2c(c1)CCN2.CC(=O)c1ccc2c(c1)CCN2Cc1ccccc1.O=C(O)c1ccc2c(c1)CCN2Cc1ccccc1.O=C(c1ccc2c(c1)CCN2Cc1ccccc1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1.O=C(c1nccs1)N1CCN(C2CNC2)CC1.O=Cc1ccccc1.
What is the InChIKey of [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;benzaldehyde;1-benzyl-2,3-dihydroindole-5-carboxylic acid;1-(1-benzyl-2,3-dihydroindol-5-yl)ethanone;(1-benzyl-2,3-dihydroindol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1-(2,3-dihydro-1H-indol-5-yl)ethanone?
The InChIKey is OFFUJGSXZZNEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2S.C17H17NO.C16H15NO2.C11H16N4OS.C10H11NO.C7H6O/c33-26(22-6-7-24-21(16-22)8-10-31(24)17-20-4-2-1-3-5-20)32-18-23(19-32)29-11-13-30(14-12-29)27(34)25-28-9-15-35-25;1-13(19)15-7-8-17-16(11-15)9-10-18(17)12-14-5-3-2-4-6-14;18-16(19)14-6-7-15-13(10-14)8-9-17(15)11-12-4-2-1-3-5-12;16-11(10-13-1-6-17-10)15-4-2-14(3-5-15)9-7-12-8-9;1-7(12)8-2-3-10-9(6-8)4-5-11-10;8-6-7-4-2-1-3-5-7/h1-7,9,15-16,23H,8,10-14,17-19H2;2-8,11H,9-10,12H2,1H3;1-7,10H,8-9,11H2,(H,18,19);1,6,9,12H,2-5,7-8H2;2-3,6,11H,4-5H2,1H3;1-6H.
What are the key properties of [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;benzaldehyde;1-benzyl-2,3-dihydroindole-5-carboxylic acid;1-(1-benzyl-2,3-dihydroindol-5-yl)ethanone;(1-benzyl-2,3-dihydroindol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1-(2,3-dihydro-1H-indol-5-yl)ethanone?
[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;benzaldehyde;1-benzyl-2,3-dihydroindole-5-carboxylic acid;1-(1-benzyl-2,3-dihydroindol-5-yl)ethanone;(1-benzyl-2,3-dihydroindol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1-(2,3-dihydro-1H-indol-5-yl)ethanone has a molecular weight of 1511.93 g/mol, XLogP of 12.62, 15 rotatable bonds, 3 hydrogen bond donors, and 18 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;benzaldehyde;1-benzyl-2,3-dihydroindole-5-carboxylic acid;1-(1-benzyl-2,3-dihydroindol-5-yl)ethanone;(1-benzyl-2,3-dihydroindol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1-(2,3-dihydro-1H-indol-5-yl)ethanone is sourced from PubChem (CID 159976592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).