2-cyclopent-2-en-1-yl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide

C16H23N3OS — CID 46699176

IUPAC2-cyclopent-2-en-1-yl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CC1C=CCC1)Nc1nc(CN2CCCCC2)cs1
InChIInChI=1S/C16H23N3OS/c20-15(10-13-6-2-3-7-13)18-16-17-14(12-21-16)11-19-8-4-1-5-9-19/h2,6,12-13H,1,3-5,7-11H2,(H,17,18,20)
InChIKeyPHSQGGUJAOWLKZ-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.42
Rot. Bonds5

About 2-cyclopent-2-en-1-yl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide

2-cyclopent-2-en-1-yl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 46699176) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID46699176
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name2-cyclopent-2-en-1-yl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CC1C=CCC1)Nc1nc(CN2CCCCC2)cs1
InChIInChI=1S/C16H23N3OS/c20-15(10-13-6-2-3-7-13)18-16-17-14(12-21-16)11-19-8-4-1-5-9-19/h2,6,12-13H,1,3-5,7-11H2,(H,17,18,20)
InChIKeyPHSQGGUJAOWLKZ-UHFFFAOYSA-N
XLogP3.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 30177206
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide
CID 119830492
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 119830478
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 30182797
N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 75498849
3-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119830465
(2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830474
1-(2-methylpropanoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 33210791
N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
CID 51083310
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 146127731
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide
CID 51298742
2-cyclopent-2-en-1-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 18119482

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide (CID 46699176) is 2-cyclopent-2-en-1-yl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide is O=C(CC1C=CCC1)Nc1nc(CN2CCCCC2)cs1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is PHSQGGUJAOWLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c20-15(10-13-6-2-3-7-13)18-16-17-14(12-21-16)11-19-8-4-1-5-9-19/h2,6,12-13H,1,3-5,7-11H2,(H,17,18,20).
What are the key properties of 2-cyclopent-2-en-1-yl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
2-cyclopent-2-en-1-yl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 305.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 46699176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).