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

C11H12F3NOS — CID 106782531

IUPAC(3-methylcyclopentyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCC1CCC(C(=O)c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C11H12F3NOS/c1-6-2-3-7(4-6)9(16)8-5-15-10(17-8)11(12,13)14/h5-7H,2-4H2,1H3
InChIKeyRPHGYKAKVNKMTH-UHFFFAOYSA-N
MW263.28 g/mol
LogP3.78
Rot. Bonds2

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

(3-methylcyclopentyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106782531) has the molecular formula C11H12F3NOS and a molecular weight of 263.28 g/mol. Its IUPAC name is (3-methylcyclopentyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(3-methylcyclopentyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106782531
Molecular FormulaC11H12F3NOS
Molecular Weight263.28 g/mol
Exact Mass263.06
IUPAC Name(3-methylcyclopentyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCC1CCC(C(=O)c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C11H12F3NOS/c1-6-2-3-7(4-6)9(16)8-5-15-10(17-8)11(12,13)14/h5-7H,2-4H2,1H3
InChIKeyRPHGYKAKVNKMTH-UHFFFAOYSA-N
XLogP3.78
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylcyclopentyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (3-methylcyclopentyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106782531) is (3-methylcyclopentyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (3-methylcyclopentyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (3-methylcyclopentyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is CC1CCC(C(=O)c2cnc(C(F)(F)F)s2)C1.
What is the InChIKey of (3-methylcyclopentyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is RPHGYKAKVNKMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NOS/c1-6-2-3-7(4-6)9(16)8-5-15-10(17-8)11(12,13)14/h5-7H,2-4H2,1H3.
What are the key properties of (3-methylcyclopentyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
(3-methylcyclopentyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 263.28 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclopentyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106782531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).