1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine

C13H17F3N2S — CID 64759658

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(c2nc3c(s2)CCC3)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H17F3N2S/c14-13(15,16)8-3-2-6-12(17,7-8)11-18-9-4-1-5-10(9)19-11/h8H,1-7,17H2
InChIKeyNNVRMOKGUWAXPT-UHFFFAOYSA-N
MW290.35 g/mol
LogP3.54
Rot. Bonds1

About 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64759658) has the molecular formula C13H17F3N2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64759658
Molecular FormulaC13H17F3N2S
Molecular Weight290.35 g/mol
Exact Mass290.11
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(c2nc3c(s2)CCC3)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H17F3N2S/c14-13(15,16)8-3-2-6-12(17,7-8)11-18-9-4-1-5-10(9)19-11/h8H,1-7,17H2
InChIKeyNNVRMOKGUWAXPT-UHFFFAOYSA-N
XLogP3.54
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 64759658) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine is NC1(c2nc3c(s2)CCC3)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is NNVRMOKGUWAXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2S/c14-13(15,16)8-3-2-6-12(17,7-8)11-18-9-4-1-5-10(9)19-11/h8H,1-7,17H2.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 290.35 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64759658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).