3-(cyclopropylmethyl)-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 hydrogen

C29H36N4O3S — CID 158348881

About 3-(cyclopropylmethyl)-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 hydrogen

3-(cyclopropylmethyl)-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 hydrogen (PubChem CID 158348881) has the molecular formula C29H36N4O3S and a molecular weight of 520.70 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-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 hydrogen.

Molecular Properties

• Compound Name: 3-(cyclopropylmethyl)-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 hydrogen
• PubChem CID: 158348881
• Molecular Formula: C29H36N4O3S
• Molecular Weight: 520.70 g/mol
• Exact Mass: 520.25
• IUPAC Name: 3-(cyclopropylmethyl)-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 hydrogen
• SMILES: O=C(CC1SC(c2ccccc2)N(CC2CC2)C1=O)N1CCC(N2CCc3ccccc3NC2=O)CC1.[H][H]
• InChI: InChI=1S/C29H34N4O3S.H2/c34-26(18-25-27(35)33(19-20-10-11-20)28(37-25)22-7-2-1-3-8-22)31-15-13-23(14-16-31)32-17-12-21-6-4-5-9-24(21)30-29(32)36;/h1-9,20,23,25,28H,10-19H2,(H,30,36);1H
• InChIKey: GSBLNLUONRUTPH-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 72.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.70
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-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 hydrogen?

The IUPAC name of 3-(cyclopropylmethyl)-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 hydrogen (CID 158348881) is 3-(cyclopropylmethyl)-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 hydrogen.

What is the SMILES notation for 3-(cyclopropylmethyl)-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 hydrogen?

The canonical SMILES for 3-(cyclopropylmethyl)-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 hydrogen is O=C(CC1SC(c2ccccc2)N(CC2CC2)C1=O)N1CCC(N2CCc3ccccc3NC2=O)CC1.[H][H].

What is the InChIKey of 3-(cyclopropylmethyl)-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 hydrogen?

The InChIKey is GSBLNLUONRUTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O3S.H2/c34-26(18-25-27(35)33(19-20-10-11-20)28(37-25)22-7-2-1-3-8-22)31-15-13-23(14-16-31)32-17-12-21-6-4-5-9-24(21)30-29(32)36;/h1-9,20,23,25,28H,10-19H2,(H,30,36);1H.

What are the key properties of 3-(cyclopropylmethyl)-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 hydrogen?

3-(cyclopropylmethyl)-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 hydrogen has a molecular weight of 520.70 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclopropylmethyl)-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 hydrogen is sourced from PubChem (CID 158348881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).