1-[2-(1-phenylcyclopentyl)-1,3-thiazol-4-yl]ethanone

C16H17NOS — CID 64543409

IUPAC1-[2-(1-phenylcyclopentyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(C2(c3ccccc3)CCCC2)n1
InChIInChI=1S/C16H17NOS/c1-12(18)14-11-19-15(17-14)16(9-5-6-10-16)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyOEUUDFJYBBOYLW-UHFFFAOYSA-N
MW271.39 g/mol
LogP4.21
Rot. Bonds3

About 1-[2-(1-phenylcyclopentyl)-1,3-thiazol-4-yl]ethanone

1-[2-(1-phenylcyclopentyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 64543409) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-[2-(1-phenylcyclopentyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-phenylcyclopentyl)-1,3-thiazol-4-yl]ethanone
PubChem CID64543409
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC Name1-[2-(1-phenylcyclopentyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(C2(c3ccccc3)CCCC2)n1
InChIInChI=1S/C16H17NOS/c1-12(18)14-11-19-15(17-14)16(9-5-6-10-16)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyOEUUDFJYBBOYLW-UHFFFAOYSA-N
XLogP4.21
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-phenylcyclopentyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(1-phenylcyclopentyl)-1,3-thiazol-4-yl]ethanone (CID 64543409) is 1-[2-(1-phenylcyclopentyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(1-phenylcyclopentyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(1-phenylcyclopentyl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(C2(c3ccccc3)CCCC2)n1.
What is the InChIKey of 1-[2-(1-phenylcyclopentyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is OEUUDFJYBBOYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-12(18)14-11-19-15(17-14)16(9-5-6-10-16)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3.
What are the key properties of 1-[2-(1-phenylcyclopentyl)-1,3-thiazol-4-yl]ethanone?
1-[2-(1-phenylcyclopentyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 271.39 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-phenylcyclopentyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 64543409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).