3-[2-(diethylamino)ethyl]-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one;(2S)-4-(3-methylbutyl)-2-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,8-dithia-4-azaspiro[4.5]decan-3-one;molecular hydrogen;3-(oxolan-2-ylmethyl)-5-[2-oxo-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one

C87H119N13O10S4 — CID 159979403

About 3-[2-(diethylamino)ethyl]-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one;(2S)-4-(3-methylbutyl)-2-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,8-dithia-4-azaspiro[4.5]decan-3-one;molecular hydrogen;3-(oxolan-2-ylmethyl)-5-[2-oxo-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one

3-[2-(diethylamino)ethyl]-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one;(2S)-4-(3-methylbutyl)-2-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,8-dithia-4-azaspiro[4.5]decan-3-one;molecular hydrogen;3-(oxolan-2-ylmethyl)-5-[2-oxo-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 159979403) has the molecular formula C87H119N13O10S4 and a molecular weight of 1635.26 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl]-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one;(2S)-4-(3-methylbutyl)-2-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,8-dithia-4-azaspiro[4.5]decan-3-one;molecular hydrogen;3-(oxolan-2-ylmethyl)-5-[2-oxo-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 3-[2-(diethylamino)ethyl]-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one;(2S)-4-(3-methylbutyl)-2-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,8-dithia-4-azaspiro[4.5]decan-3-one;molecular hydrogen;3-(oxolan-2-ylmethyl)-5-[2-oxo-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one
• PubChem CID: 159979403
• Molecular Formula: C87H119N13O10S4
• Molecular Weight: 1635.26 g/mol
• Exact Mass: 1633.81
• IUPAC Name: 3-[2-(diethylamino)ethyl]-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one;(2S)-4-(3-methylbutyl)-2-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,8-dithia-4-azaspiro[4.5]decan-3-one;molecular hydrogen;3-(oxolan-2-ylmethyl)-5-[2-oxo-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one
• SMILES: CC(C)CCN1C(=O)[C@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)SC12CCSCC2.CCN(CC)CCN1C(=O)C(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)SC1c1ccccc1.O=C(CC1SC(c2ccccc2)N(CC2CCCO2)C1=O)N1CCC(N2CCc3ccccc3NC2=O)CC1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C30H39N5O3S.C30H36N4O4S.C27H38N4O3S2.3H2/c1-3-32(4-2)18-19-34-28(37)26(39-29(34)22-10-6-5-7-11-22)20-27(36)33-16-14-24(15-17-33)35-21-23-12-8-9-13-25(23)31-30(35)38;35-27(32-15-13-23(14-16-32)33-17-12-21-7-4-5-11-25(21)31-30(33)37)19-26-28(36)34(20-24-10-6-18-38-24)29(39-26)22-8-2-1-3-9-22;1-19(2)7-14-31-25(33)23(36-27(31)10-15-35-16-11-27)17-24(32)29-12-8-21(9-13-29)30-18-20-5-3-4-6-22(20)28-26(30)34;;;/h5-13,24,26,29H,3-4,14-21H2,1-2H3,(H,31,38);1-5,7-9,11,23-24,26,29H,6,10,12-20H2,(H,31,37);3-6,19,21,23H,7-18H2,1-2H3,(H,28,34);3*1H/t;;23-;;;/m..0.../s1
• InChIKey: OFOIXHISVIIHGI-OKTXOCQVSA-N
• XLogP: 14.05
• TPSA: 231.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1635.26
LogP ≤ 5	14.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethyl]-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one;(2S)-4-(3-methylbutyl)-2-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,8-dithia-4-azaspiro[4.5]decan-3-one;molecular hydrogen;3-(oxolan-2-ylmethyl)-5-[2-oxo-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one?

The IUPAC name of 3-[2-(diethylamino)ethyl]-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one;(2S)-4-(3-methylbutyl)-2-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,8-dithia-4-azaspiro[4.5]decan-3-one;molecular hydrogen;3-(oxolan-2-ylmethyl)-5-[2-oxo-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one (CID 159979403) is 3-[2-(diethylamino)ethyl]-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one;(2S)-4-(3-methylbutyl)-2-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,8-dithia-4-azaspiro[4.5]decan-3-one;molecular hydrogen;3-(oxolan-2-ylmethyl)-5-[2-oxo-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one.

What is the SMILES notation for 3-[2-(diethylamino)ethyl]-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one;(2S)-4-(3-methylbutyl)-2-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,8-dithia-4-azaspiro[4.5]decan-3-one;molecular hydrogen;3-(oxolan-2-ylmethyl)-5-[2-oxo-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one?

The canonical SMILES for 3-[2-(diethylamino)ethyl]-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one;(2S)-4-(3-methylbutyl)-2-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,8-dithia-4-azaspiro[4.5]decan-3-one;molecular hydrogen;3-(oxolan-2-ylmethyl)-5-[2-oxo-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one is CC(C)CCN1C(=O)[C@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)SC12CCSCC2.CCN(CC)CCN1C(=O)C(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)SC1c1ccccc1.O=C(CC1SC(c2ccccc2)N(CC2CCCO2)C1=O)N1CCC(N2CCc3ccccc3NC2=O)CC1.[H][H].[H][H].[H][H].

What is the InChIKey of 3-[2-(diethylamino)ethyl]-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one;(2S)-4-(3-methylbutyl)-2-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,8-dithia-4-azaspiro[4.5]decan-3-one;molecular hydrogen;3-(oxolan-2-ylmethyl)-5-[2-oxo-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one?

The InChIKey is OFOIXHISVIIHGI-OKTXOCQVSA-N. The full InChI is InChI=1S/C30H39N5O3S.C30H36N4O4S.C27H38N4O3S2.3H2/c1-3-32(4-2)18-19-34-28(37)26(39-29(34)22-10-6-5-7-11-22)20-27(36)33-16-14-24(15-17-33)35-21-23-12-8-9-13-25(23)31-30(35)38;35-27(32-15-13-23(14-16-32)33-17-12-21-7-4-5-11-25(21)31-30(33)37)19-26-28(36)34(20-24-10-6-18-38-24)29(39-26)22-8-2-1-3-9-22;1-19(2)7-14-31-25(33)23(36-27(31)10-15-35-16-11-27)17-24(32)29-12-8-21(9-13-29)30-18-20-5-3-4-6-22(20)28-26(30)34;;;/h5-13,24,26,29H,3-4,14-21H2,1-2H3,(H,31,38);1-5,7-9,11,23-24,26,29H,6,10,12-20H2,(H,31,37);3-6,19,21,23H,7-18H2,1-2H3,(H,28,34);3*1H/t;;23-;;;/m..0.../s1.

What are the key properties of 3-[2-(diethylamino)ethyl]-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one;(2S)-4-(3-methylbutyl)-2-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,8-dithia-4-azaspiro[4.5]decan-3-one;molecular hydrogen;3-(oxolan-2-ylmethyl)-5-[2-oxo-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one?

3-[2-(diethylamino)ethyl]-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one;(2S)-4-(3-methylbutyl)-2-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,8-dithia-4-azaspiro[4.5]decan-3-one;molecular hydrogen;3-(oxolan-2-ylmethyl)-5-[2-oxo-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 1635.26 g/mol, XLogP of 14.05, 21 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(diethylamino)ethyl]-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one;(2S)-4-(3-methylbutyl)-2-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,8-dithia-4-azaspiro[4.5]decan-3-one;molecular hydrogen;3-(oxolan-2-ylmethyl)-5-[2-oxo-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 159979403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).