3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopent-2-en-1-amine

C9H9F3N2S — CID 106784194

IUPAC3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopent-2-en-1-amine
SMILESNC1C=C(c2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C9H9F3N2S/c10-9(11,12)8-14-4-7(15-8)5-1-2-6(13)3-5/h3-4,6H,1-2,13H2
InChIKeyNOCVDKAQCYDLRY-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.67
Rot. Bonds1

About 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopent-2-en-1-amine

3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopent-2-en-1-amine (PubChem CID 106784194) has the molecular formula C9H9F3N2S and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopent-2-en-1-amine
PubChem CID106784194
Molecular FormulaC9H9F3N2S
Molecular Weight234.25 g/mol
Exact Mass234.04
IUPAC Name3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopent-2-en-1-amine
SMILESNC1C=C(c2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C9H9F3N2S/c10-9(11,12)8-14-4-7(15-8)5-1-2-6(13)3-5/h3-4,6H,1-2,13H2
InChIKeyNOCVDKAQCYDLRY-UHFFFAOYSA-N
XLogP2.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-Thiazol-5-yl)-1,2,3,6-tetrahydropyridine dihydrochloride
CID 145994643
2-Methyl-5-[[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-1,3-thiazole
CID 71011209
N-methyl-1-[2-[(3E,5Z)-2-(trifluoromethyl)hepta-1,3,5-trien-4-yl]-1,3-thiazol-5-yl]propan-1-amine
CID 130390607
(2E)-3-cyclobutyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]penta-2,4-dien-2-amine
CID 169169287
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-amine
CID 106783466
2-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783679
2-(cyclohexen-1-yl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783680
N-[2-(cyclohexen-1-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783681
5-(1,2,3,6-Tetrahydropyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784090
5-(2,5-dihydro-1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784091
4-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]butan-2-amine
CID 106784136
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]hexan-3-amine
CID 106784139

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopent-2-en-1-amine?
The IUPAC name of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopent-2-en-1-amine (CID 106784194) is 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopent-2-en-1-amine.
What is the SMILES notation for 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopent-2-en-1-amine?
The canonical SMILES for 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopent-2-en-1-amine is NC1C=C(c2cnc(C(F)(F)F)s2)CC1.
What is the InChIKey of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopent-2-en-1-amine?
The InChIKey is NOCVDKAQCYDLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2S/c10-9(11,12)8-14-4-7(15-8)5-1-2-6(13)3-5/h3-4,6H,1-2,13H2.
What are the key properties of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopent-2-en-1-amine?
3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopent-2-en-1-amine has a molecular weight of 234.25 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopent-2-en-1-amine is sourced from PubChem (CID 106784194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).