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

C15H21F3N2S — CID 64755102

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCNC1(c2nc3c(s2)CCC3)CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H21F3N2S/c1-2-19-14(8-6-10(7-9-14)15(16,17)18)13-20-11-4-3-5-12(11)21-13/h10,19H,2-9H2,1H3
InChIKeyYPYKNSYDSRVBDY-UHFFFAOYSA-N
MW318.41 g/mol
LogP4.19
Rot. Bonds3

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

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64755102) has the molecular formula C15H21F3N2S and a molecular weight of 318.41 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64755102
Molecular FormulaC15H21F3N2S
Molecular Weight318.41 g/mol
Exact Mass318.14
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCNC1(c2nc3c(s2)CCC3)CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H21F3N2S/c1-2-19-14(8-6-10(7-9-14)15(16,17)18)13-20-11-4-3-5-12(11)21-13/h10,19H,2-9H2,1H3
InChIKeyYPYKNSYDSRVBDY-UHFFFAOYSA-N
XLogP4.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.19
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)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine (CID 64755102) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine is CCNC1(c2nc3c(s2)CCC3)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is YPYKNSYDSRVBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2S/c1-2-19-14(8-6-10(7-9-14)15(16,17)18)13-20-11-4-3-5-12(11)21-13/h10,19H,2-9H2,1H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 318.41 g/mol, XLogP of 4.19, 3 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)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64755102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).