2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6,6,6-trifluoro-N-propan-2-ylhexan-2-amine

C15H23F3N2S — CID 116535750

IUPAC2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6,6,6-trifluoro-N-propan-2-ylhexan-2-amine
SMILESCC(C)NC(C)(CCCC(F)(F)F)c1nc2c(s1)CCC2
InChIInChI=1S/C15H23F3N2S/c1-10(2)20-14(3,8-5-9-15(16,17)18)13-19-11-6-4-7-12(11)21-13/h10,20H,4-9H2,1-3H3
InChIKeyLLTUPMIDGWJOQD-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.58
Rot. Bonds6

About 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6,6,6-trifluoro-N-propan-2-ylhexan-2-amine

2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6,6,6-trifluoro-N-propan-2-ylhexan-2-amine (PubChem CID 116535750) has the molecular formula C15H23F3N2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6,6,6-trifluoro-N-propan-2-ylhexan-2-amine.

Molecular Properties

Compound Name2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6,6,6-trifluoro-N-propan-2-ylhexan-2-amine
PubChem CID116535750
Molecular FormulaC15H23F3N2S
Molecular Weight320.42 g/mol
Exact Mass320.15
IUPAC Name2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6,6,6-trifluoro-N-propan-2-ylhexan-2-amine
SMILESCC(C)NC(C)(CCCC(F)(F)F)c1nc2c(s1)CCC2
InChIInChI=1S/C15H23F3N2S/c1-10(2)20-14(3,8-5-9-15(16,17)18)13-19-11-6-4-7-12(11)21-13/h10,20H,4-9H2,1-3H3
InChIKeyLLTUPMIDGWJOQD-UHFFFAOYSA-N
XLogP4.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6,6,6-trifluoro-N-propan-2-ylhexan-2-amine with MolForge

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Related Compounds

5,6-Dihydro-2-(3-piperidinyl)-4H-cyclopentathiazole
CID 24261809
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
4-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}piperidine hydrochloride
CID 177800580
1-{4,4-dimethyl-4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methanamine dihydrochloride
CID 177801603
1-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethan-1-amine
CID 24261659
2-(Difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
CID 167048093
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754915
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755098
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
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757429

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6,6,6-trifluoro-N-propan-2-ylhexan-2-amine?
The IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6,6,6-trifluoro-N-propan-2-ylhexan-2-amine (CID 116535750) is 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6,6,6-trifluoro-N-propan-2-ylhexan-2-amine.
What is the SMILES notation for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6,6,6-trifluoro-N-propan-2-ylhexan-2-amine?
The canonical SMILES for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6,6,6-trifluoro-N-propan-2-ylhexan-2-amine is CC(C)NC(C)(CCCC(F)(F)F)c1nc2c(s1)CCC2.
What is the InChIKey of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6,6,6-trifluoro-N-propan-2-ylhexan-2-amine?
The InChIKey is LLTUPMIDGWJOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2S/c1-10(2)20-14(3,8-5-9-15(16,17)18)13-19-11-6-4-7-12(11)21-13/h10,20H,4-9H2,1-3H3.
What are the key properties of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6,6,6-trifluoro-N-propan-2-ylhexan-2-amine?
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6,6,6-trifluoro-N-propan-2-ylhexan-2-amine has a molecular weight of 320.42 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6,6,6-trifluoro-N-propan-2-ylhexan-2-amine is sourced from PubChem (CID 116535750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).