2-cyclopent-2-en-1-yl-1-[4-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone

C20H24N4OS — CID 132771058

IUPAC2-cyclopent-2-en-1-yl-1-[4-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
SMILESO=C(CC1C=CCC1)N1CCC(c2cccc(Nc3nccs3)n2)CC1
InChIInChI=1S/C20H24N4OS/c25-19(14-15-4-1-2-5-15)24-11-8-16(9-12-24)17-6-3-7-18(22-17)23-20-21-10-13-26-20/h1,3-4,6-7,10,13,15-16H,2,5,8-9,11-12,14H2,(H,21,22,23)
InChIKeySIBQBEWSAPKKRM-UHFFFAOYSA-N
MW368.51 g/mol
LogP4.34
Rot. Bonds5

About 2-cyclopent-2-en-1-yl-1-[4-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone

2-cyclopent-2-en-1-yl-1-[4-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 132771058) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-1-[4-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-1-[4-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
PubChem CID132771058
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name2-cyclopent-2-en-1-yl-1-[4-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
SMILESO=C(CC1C=CCC1)N1CCC(c2cccc(Nc3nccs3)n2)CC1
InChIInChI=1S/C20H24N4OS/c25-19(14-15-4-1-2-5-15)24-11-8-16(9-12-24)17-6-3-7-18(22-17)23-20-21-10-13-26-20/h1,3-4,6-7,10,13,15-16H,2,5,8-9,11-12,14H2,(H,21,22,23)
InChIKeySIBQBEWSAPKKRM-UHFFFAOYSA-N
XLogP4.34
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-1-[4-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopent-2-en-1-yl-1-[4-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone (CID 132771058) is 2-cyclopent-2-en-1-yl-1-[4-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-1-[4-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopent-2-en-1-yl-1-[4-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone is O=C(CC1C=CCC1)N1CCC(c2cccc(Nc3nccs3)n2)CC1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-1-[4-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is SIBQBEWSAPKKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c25-19(14-15-4-1-2-5-15)24-11-8-16(9-12-24)17-6-3-7-18(22-17)23-20-21-10-13-26-20/h1,3-4,6-7,10,13,15-16H,2,5,8-9,11-12,14H2,(H,21,22,23).
What are the key properties of 2-cyclopent-2-en-1-yl-1-[4-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone?
2-cyclopent-2-en-1-yl-1-[4-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 368.51 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-1-[4-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 132771058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).