4-[4-(4-methyl-1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-phenoxyphenyl)pyrrolidin-2-one

C25H26N4O3S — CID 122654166

IUPAC4-[4-(4-methyl-1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-phenoxyphenyl)pyrrolidin-2-one
SMILESCc1csc(C(=O)N2CCN(C3CC(=O)N(c4ccc(Oc5ccccc5)cc4)C3)CC2)n1
InChIInChI=1S/C25H26N4O3S/c1-18-17-33-24(26-18)25(31)28-13-11-27(12-14-28)20-15-23(30)29(16-20)19-7-9-22(10-8-19)32-21-5-3-2-4-6-21/h2-10,17,20H,11-16H2,1H3
InChIKeyBMCCDNYNAZCIGM-UHFFFAOYSA-N
MW462.58 g/mol
LogP3.81
Rot. Bonds5

About 4-[4-(4-methyl-1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-phenoxyphenyl)pyrrolidin-2-one

4-[4-(4-methyl-1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-phenoxyphenyl)pyrrolidin-2-one (PubChem CID 122654166) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is 4-[4-(4-methyl-1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-phenoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(4-methyl-1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-phenoxyphenyl)pyrrolidin-2-one
PubChem CID122654166
Molecular FormulaC25H26N4O3S
Molecular Weight462.58 g/mol
Exact Mass462.17
IUPAC Name4-[4-(4-methyl-1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-phenoxyphenyl)pyrrolidin-2-one
SMILESCc1csc(C(=O)N2CCN(C3CC(=O)N(c4ccc(Oc5ccccc5)cc4)C3)CC2)n1
InChIInChI=1S/C25H26N4O3S/c1-18-17-33-24(26-18)25(31)28-13-11-27(12-14-28)20-15-23(30)29(16-20)19-7-9-22(10-8-19)32-21-5-3-2-4-6-21/h2-10,17,20H,11-16H2,1H3
InChIKeyBMCCDNYNAZCIGM-UHFFFAOYSA-N
XLogP3.81
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methyl-1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-phenoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(4-methyl-1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-phenoxyphenyl)pyrrolidin-2-one (CID 122654166) is 4-[4-(4-methyl-1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-phenoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(4-methyl-1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-phenoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(4-methyl-1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-phenoxyphenyl)pyrrolidin-2-one is Cc1csc(C(=O)N2CCN(C3CC(=O)N(c4ccc(Oc5ccccc5)cc4)C3)CC2)n1.
What is the InChIKey of 4-[4-(4-methyl-1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-phenoxyphenyl)pyrrolidin-2-one?
The InChIKey is BMCCDNYNAZCIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-18-17-33-24(26-18)25(31)28-13-11-27(12-14-28)20-15-23(30)29(16-20)19-7-9-22(10-8-19)32-21-5-3-2-4-6-21/h2-10,17,20H,11-16H2,1H3.
What are the key properties of 4-[4-(4-methyl-1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-phenoxyphenyl)pyrrolidin-2-one?
4-[4-(4-methyl-1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-phenoxyphenyl)pyrrolidin-2-one has a molecular weight of 462.58 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methyl-1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-phenoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 122654166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).