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

C22H22N4O2S2 — CID 122654184

IUPAC4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-thiophen-3-ylphenyl)pyrrolidin-2-one
SMILESO=C(c1nccs1)N1CCN(C2CC(=O)N(c3ccc(-c4ccsc4)cc3)C2)CC1
InChIInChI=1S/C22H22N4O2S2/c27-20-13-19(24-7-9-25(10-8-24)22(28)21-23-6-12-30-21)14-26(20)18-3-1-16(2-4-18)17-5-11-29-15-17/h1-6,11-12,15,19H,7-10,13-14H2
InChIKeyKFGZFCZBGLHKBW-UHFFFAOYSA-N
MW438.58 g/mol
LogP3.43
Rot. Bonds4

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

4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-thiophen-3-ylphenyl)pyrrolidin-2-one (PubChem CID 122654184) has the molecular formula C22H22N4O2S2 and a molecular weight of 438.58 g/mol. Its IUPAC name is 4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-thiophen-3-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-thiophen-3-ylphenyl)pyrrolidin-2-one
PubChem CID122654184
Molecular FormulaC22H22N4O2S2
Molecular Weight438.58 g/mol
Exact Mass438.12
IUPAC Name4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-thiophen-3-ylphenyl)pyrrolidin-2-one
SMILESO=C(c1nccs1)N1CCN(C2CC(=O)N(c3ccc(-c4ccsc4)cc3)C2)CC1
InChIInChI=1S/C22H22N4O2S2/c27-20-13-19(24-7-9-25(10-8-24)22(28)21-23-6-12-30-21)14-26(20)18-3-1-16(2-4-18)17-5-11-29-15-17/h1-6,11-12,15,19H,7-10,13-14H2
InChIKeyKFGZFCZBGLHKBW-UHFFFAOYSA-N
XLogP3.43
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-thiophen-3-ylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-thiophen-3-ylphenyl)pyrrolidin-2-one (CID 122654184) is 4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-thiophen-3-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-thiophen-3-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-thiophen-3-ylphenyl)pyrrolidin-2-one is O=C(c1nccs1)N1CCN(C2CC(=O)N(c3ccc(-c4ccsc4)cc3)C2)CC1.
What is the InChIKey of 4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-thiophen-3-ylphenyl)pyrrolidin-2-one?
The InChIKey is KFGZFCZBGLHKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S2/c27-20-13-19(24-7-9-25(10-8-24)22(28)21-23-6-12-30-21)14-26(20)18-3-1-16(2-4-18)17-5-11-29-15-17/h1-6,11-12,15,19H,7-10,13-14H2.
What are the key properties of 4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-thiophen-3-ylphenyl)pyrrolidin-2-one?
4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-thiophen-3-ylphenyl)pyrrolidin-2-one has a molecular weight of 438.58 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-thiophen-3-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 122654184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).