cyclopentyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C10H10F3NOS — CID 106782444

IUPACcyclopentyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)s1)C1CCCC1
InChIInChI=1S/C10H10F3NOS/c11-10(12,13)9-14-5-7(16-9)8(15)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyXEMRNFWIDHTXCR-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.53
Rot. Bonds2

About cyclopentyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

cyclopentyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106782444) has the molecular formula C10H10F3NOS and a molecular weight of 249.26 g/mol. Its IUPAC name is cyclopentyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106782444
Molecular FormulaC10H10F3NOS
Molecular Weight249.26 g/mol
Exact Mass249.04
IUPAC Namecyclopentyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)s1)C1CCCC1
InChIInChI=1S/C10H10F3NOS/c11-10(12,13)9-14-5-7(16-9)8(15)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyXEMRNFWIDHTXCR-UHFFFAOYSA-N
XLogP3.53
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106784725
thiolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106784865
2,3-dihydro-1-benzothiophen-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106784824
(2-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106784849
2-methyl-2-piperidin-1-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782554
2-(1,3-dioxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106785008
2,3-dihydro-1,4-benzoxathiin-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782705
3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782430
(4-propan-2-ylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782581
(1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782483
2-amino-2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106784750
(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782498

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of cyclopentyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106782444) is cyclopentyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for cyclopentyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for cyclopentyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is O=C(c1cnc(C(F)(F)F)s1)C1CCCC1.
What is the InChIKey of cyclopentyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is XEMRNFWIDHTXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NOS/c11-10(12,13)9-14-5-7(16-9)8(15)6-3-1-2-4-6/h5-6H,1-4H2.
What are the key properties of cyclopentyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
cyclopentyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 249.26 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106782444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).