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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Related Compounds

1-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-thiazol-4-ylmethyl}-pyrrolidin-2-one
CID 10047430
1-(4-Phenoxyphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 118196678
1-(3-Phenoxyphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122654012
Ethyl 2-[2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 2998339
1-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 7406147
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[3-oxo-1-(3-phenoxybenzyl)-2-piperazinyl]acetamide
CID 16190462
1-[(2-isopropyl-1,3-thiazol-4-yl)carbonyl]-N-(4-methoxyphenyl)-3-piperidinamine
CID 24816858
N-(4-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-3-piperidinamine
CID 24790504
4-[4-(5-Methyl-1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-phenoxyphenyl)pyrrolidin-2-one
CID 122653998
1-(2-Methoxyphenyl)-4-{1-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-3-piperidinyl}piperazine
CID 24817720
1-[4-(4-Methoxyphenyl)-1,4-diazepan-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 56797757
1-(1-(4-Ethoxyphenyl)-5-oxopyrrolidin-3-yl)-3-(4-methylthiazol-2-yl)urea
CID 16819841

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).