1-[2-(3-aminocyclopentyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone

C10H11F3N2OS — CID 70850656

IUPAC1-[2-(3-aminocyclopentyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone
SMILESNC1CCC(c2ncc(C(=O)C(F)(F)F)s2)C1
InChIInChI=1S/C10H11F3N2OS/c11-10(12,13)8(16)7-4-15-9(17-7)5-1-2-6(14)3-5/h4-6H,1-3,14H2
InChIKeyVWIPJUSCYGEMSI-UHFFFAOYSA-N
MW264.27 g/mol
LogP2.48
Rot. Bonds2

About 1-[2-(3-aminocyclopentyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone

1-[2-(3-aminocyclopentyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone (PubChem CID 70850656) has the molecular formula C10H11F3N2OS and a molecular weight of 264.27 g/mol. Its IUPAC name is 1-[2-(3-aminocyclopentyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[2-(3-aminocyclopentyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone
PubChem CID70850656
Molecular FormulaC10H11F3N2OS
Molecular Weight264.27 g/mol
Exact Mass264.05
IUPAC Name1-[2-(3-aminocyclopentyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone
SMILESNC1CCC(c2ncc(C(=O)C(F)(F)F)s2)C1
InChIInChI=1S/C10H11F3N2OS/c11-10(12,13)8(16)7-4-15-9(17-7)5-1-2-6(14)3-5/h4-6H,1-3,14H2
InChIKeyVWIPJUSCYGEMSI-UHFFFAOYSA-N
XLogP2.48
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminocyclopentyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[2-(3-aminocyclopentyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone (CID 70850656) is 1-[2-(3-aminocyclopentyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[2-(3-aminocyclopentyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[2-(3-aminocyclopentyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone is NC1CCC(c2ncc(C(=O)C(F)(F)F)s2)C1.
What is the InChIKey of 1-[2-(3-aminocyclopentyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone?
The InChIKey is VWIPJUSCYGEMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2OS/c11-10(12,13)8(16)7-4-15-9(17-7)5-1-2-6(14)3-5/h4-6H,1-3,14H2.
What are the key properties of 1-[2-(3-aminocyclopentyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone?
1-[2-(3-aminocyclopentyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone has a molecular weight of 264.27 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-aminocyclopentyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 70850656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).