N-[4-cyclopent-3-en-1-yl-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide

C21H23N3O3S — CID 88573622

IUPACN-[4-cyclopent-3-en-1-yl-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)Nc1nc(C2CC=CC2)c(C(=O)C2CCOCC2)s1
InChIInChI=1S/C21H23N3O3S/c25-17(13-16-7-3-4-10-22-16)23-21-24-18(14-5-1-2-6-14)20(28-21)19(26)15-8-11-27-12-9-15/h1-4,7,10,14-15H,5-6,8-9,11-13H2,(H,23,24,25)
InChIKeyFAWATIBSMQSSSP-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.76
Rot. Bonds6

About N-[4-cyclopent-3-en-1-yl-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide

N-[4-cyclopent-3-en-1-yl-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide (PubChem CID 88573622) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[4-cyclopent-3-en-1-yl-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[4-cyclopent-3-en-1-yl-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide
PubChem CID88573622
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[4-cyclopent-3-en-1-yl-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)Nc1nc(C2CC=CC2)c(C(=O)C2CCOCC2)s1
InChIInChI=1S/C21H23N3O3S/c25-17(13-16-7-3-4-10-22-16)23-21-24-18(14-5-1-2-6-14)20(28-21)19(26)15-8-11-27-12-9-15/h1-4,7,10,14-15H,5-6,8-9,11-13H2,(H,23,24,25)
InChIKeyFAWATIBSMQSSSP-UHFFFAOYSA-N
XLogP3.76
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-[4-cyclopent-3-en-1-yl-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[4-cyclopent-3-en-1-yl-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide (CID 88573622) is N-[4-cyclopent-3-en-1-yl-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[4-cyclopent-3-en-1-yl-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[4-cyclopent-3-en-1-yl-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide is O=C(Cc1ccccn1)Nc1nc(C2CC=CC2)c(C(=O)C2CCOCC2)s1.
What is the InChIKey of N-[4-cyclopent-3-en-1-yl-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide?
The InChIKey is FAWATIBSMQSSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c25-17(13-16-7-3-4-10-22-16)23-21-24-18(14-5-1-2-6-14)20(28-21)19(26)15-8-11-27-12-9-15/h1-4,7,10,14-15H,5-6,8-9,11-13H2,(H,23,24,25).
What are the key properties of N-[4-cyclopent-3-en-1-yl-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide?
N-[4-cyclopent-3-en-1-yl-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide has a molecular weight of 397.50 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclopent-3-en-1-yl-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 88573622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).