(6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine

C11H15F2N3S — CID 167048104

IUPAC(6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
SMILESN[C@@H]1c2sc(C(F)F)nc2CC12CCNCC2
InChIInChI=1S/C11H15F2N3S/c12-9(13)10-16-6-5-11(1-3-15-4-2-11)8(14)7(6)17-10/h8-9,15H,1-5,14H2/t8-/m1/s1
InChIKeyKCTDPOBZSVSADS-MRVPVSSYSA-N
MW259.32 g/mol
LogP2.01
Rot. Bonds1

About (6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine

(6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine (PubChem CID 167048104) has the molecular formula C11H15F2N3S and a molecular weight of 259.32 g/mol. Its IUPAC name is (6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine.

Molecular Properties

Compound Name(6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
PubChem CID167048104
Molecular FormulaC11H15F2N3S
Molecular Weight259.32 g/mol
Exact Mass259.10
IUPAC Name(6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
SMILESN[C@@H]1c2sc(C(F)F)nc2CC12CCNCC2
InChIInChI=1S/C11H15F2N3S/c12-9(13)10-16-6-5-11(1-3-15-4-2-11)8(14)7(6)17-10/h8-9,15H,1-5,14H2/t8-/m1/s1
InChIKeyKCTDPOBZSVSADS-MRVPVSSYSA-N
XLogP2.01
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine?
The IUPAC name of (6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine (CID 167048104) is (6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine.
What is the SMILES notation for (6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine?
The canonical SMILES for (6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine is N[C@@H]1c2sc(C(F)F)nc2CC12CCNCC2.
What is the InChIKey of (6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine?
The InChIKey is KCTDPOBZSVSADS-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15F2N3S/c12-9(13)10-16-6-5-11(1-3-15-4-2-11)8(14)7(6)17-10/h8-9,15H,1-5,14H2/t8-/m1/s1.
What are the key properties of (6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine?
(6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine has a molecular weight of 259.32 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine is sourced from PubChem (CID 167048104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).