1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentan-1-amine

C9H11F3N2S — CID 61337867

IUPAC1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
SMILESNC1(c2nc(C(F)(F)F)cs2)CCCC1
InChIInChI=1S/C9H11F3N2S/c10-9(11,12)6-5-15-7(14-6)8(13)3-1-2-4-8/h5H,1-4,13H2
InChIKeyHZZROZVEVZEGOG-UHFFFAOYSA-N
MW236.26 g/mol
LogP2.89
Rot. Bonds1

About 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentan-1-amine

1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentan-1-amine (PubChem CID 61337867) has the molecular formula C9H11F3N2S and a molecular weight of 236.26 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
PubChem CID61337867
Molecular FormulaC9H11F3N2S
Molecular Weight236.26 g/mol
Exact Mass236.06
IUPAC Name1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
SMILESNC1(c2nc(C(F)(F)F)cs2)CCCC1
InChIInChI=1S/C9H11F3N2S/c10-9(11,12)6-5-15-7(14-6)8(13)3-1-2-4-8/h5H,1-4,13H2
InChIKeyHZZROZVEVZEGOG-UHFFFAOYSA-N
XLogP2.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentan-1-amine?
The IUPAC name of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentan-1-amine (CID 61337867) is 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentan-1-amine is NC1(c2nc(C(F)(F)F)cs2)CCCC1.
What is the InChIKey of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentan-1-amine?
The InChIKey is HZZROZVEVZEGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2S/c10-9(11,12)6-5-15-7(14-6)8(13)3-1-2-4-8/h5H,1-4,13H2.
What are the key properties of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentan-1-amine?
1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentan-1-amine has a molecular weight of 236.26 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopentan-1-amine is sourced from PubChem (CID 61337867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).