2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]acetamide

C15H22N2OS — CID 95314375

IUPAC2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCCc1nc(CCNC(=O)C[C@@H]2C=CCC2)sc1C
InChIInChI=1S/C15H22N2OS/c1-3-13-11(2)19-15(17-13)8-9-16-14(18)10-12-6-4-5-7-12/h4,6,12H,3,5,7-10H2,1-2H3,(H,16,18)/t12-/m1/s1
InChIKeyNYGJXWWNHHNUMB-GFCCVEGCSA-N
MW278.42 g/mol
LogP3.03
Rot. Bonds6

About 2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]acetamide

2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 95314375) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID95314375
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCCc1nc(CCNC(=O)C[C@@H]2C=CCC2)sc1C
InChIInChI=1S/C15H22N2OS/c1-3-13-11(2)19-15(17-13)8-9-16-14(18)10-12-6-4-5-7-12/h4,6,12H,3,5,7-10H2,1-2H3,(H,16,18)/t12-/m1/s1
InChIKeyNYGJXWWNHHNUMB-GFCCVEGCSA-N
XLogP3.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 7196991
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CID 164629559
CID 164629559
CID 53601851
CID 53601851
CID 71993378
CID 71993378
CID 95323956
CID 95323956
CID 95323957
CID 95323957
CID 95323958
CID 95323958
CID 95323959
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CID 97578109
CID 97578109

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]acetamide (CID 95314375) is 2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]acetamide is CCc1nc(CCNC(=O)C[C@@H]2C=CCC2)sc1C.
What is the InChIKey of 2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is NYGJXWWNHHNUMB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-3-13-11(2)19-15(17-13)8-9-16-14(18)10-12-6-4-5-7-12/h4,6,12H,3,5,7-10H2,1-2H3,(H,16,18)/t12-/m1/s1.
What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]acetamide?
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 278.42 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 95314375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).