N-[3-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide

C26H27N5O3S — CID 122654224

IUPACN-[3-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc(N3CC(N4CCN(C(=O)c5nccs5)CC4)CC3=O)cc2)c1
InChIInChI=1S/C26H27N5O3S/c1-18(32)28-21-4-2-3-20(15-21)19-5-7-22(8-6-19)31-17-23(16-24(31)33)29-10-12-30(13-11-29)26(34)25-27-9-14-35-25/h2-9,14-15,23H,10-13,16-17H2,1H3,(H,28,32)
InChIKeyNETUUOCRHDVHEI-UHFFFAOYSA-N
MW489.60 g/mol
LogP3.33
Rot. Bonds5

About N-[3-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide

N-[3-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide (PubChem CID 122654224) has the molecular formula C26H27N5O3S and a molecular weight of 489.60 g/mol. Its IUPAC name is N-[3-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide
PubChem CID122654224
Molecular FormulaC26H27N5O3S
Molecular Weight489.60 g/mol
Exact Mass489.18
IUPAC NameN-[3-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc(N3CC(N4CCN(C(=O)c5nccs5)CC4)CC3=O)cc2)c1
InChIInChI=1S/C26H27N5O3S/c1-18(32)28-21-4-2-3-20(15-21)19-5-7-22(8-6-19)31-17-23(16-24(31)33)29-10-12-30(13-11-29)26(34)25-27-9-14-35-25/h2-9,14-15,23H,10-13,16-17H2,1H3,(H,28,32)
InChIKeyNETUUOCRHDVHEI-UHFFFAOYSA-N
XLogP3.33
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide?
The IUPAC name of N-[3-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide (CID 122654224) is N-[3-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide is CC(=O)Nc1cccc(-c2ccc(N3CC(N4CCN(C(=O)c5nccs5)CC4)CC3=O)cc2)c1.
What is the InChIKey of N-[3-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide?
The InChIKey is NETUUOCRHDVHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3S/c1-18(32)28-21-4-2-3-20(15-21)19-5-7-22(8-6-19)31-17-23(16-24(31)33)29-10-12-30(13-11-29)26(34)25-27-9-14-35-25/h2-9,14-15,23H,10-13,16-17H2,1H3,(H,28,32).
What are the key properties of N-[3-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide?
N-[3-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide has a molecular weight of 489.60 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide is sourced from PubChem (CID 122654224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).