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

C15H21F3N2S — CID 64757429

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCNC1(c2nc3c(s2)CCC3)CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H21F3N2S/c1-2-19-14(8-4-5-10(9-14)15(16,17)18)13-20-11-6-3-7-12(11)21-13/h10,19H,2-9H2,1H3
InChIKeyKELPKLUZLYKKRQ-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-3-(trifluoromethyl)cyclohexan-1-amine

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64757429) 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-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64757429
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-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCNC1(c2nc3c(s2)CCC3)CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H21F3N2S/c1-2-19-14(8-4-5-10(9-14)15(16,17)18)13-20-11-6-3-7-12(11)21-13/h10,19H,2-9H2,1H3
InChIKeyKELPKLUZLYKKRQ-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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Related Compounds

4-(4H,5H,6H-cyclopenta(d)(1,3)thiazol-2-yl)piperidine
CID 24261830
4-((4H,5H,6H-cyclopenta(d)(1,3)thiazol-2-yl)methyl)piperidine
CID 24262114
2-(Difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
CID 167048093
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747378
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754915
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755095
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755098
N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755099
N-ethyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755100
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755102
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757028
N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757029

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine (CID 64757429) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine is CCNC1(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)-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is KELPKLUZLYKKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2S/c1-2-19-14(8-4-5-10(9-14)15(16,17)18)13-20-11-6-3-7-12(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-3-(trifluoromethyl)cyclohexan-1-amine?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-(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-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64757429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).