(6S)-2-(3-fluoroazetidin-1-yl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine

C14H21FN4S — CID 167047830

IUPAC(6S)-2-(3-fluoroazetidin-1-yl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
SMILESCN1CCC2(CC1)Cc1nc(N3CC(F)C3)sc1[C@H]2N
InChIInChI=1S/C14H21FN4S/c1-18-4-2-14(3-5-18)6-10-11(12(14)16)20-13(17-10)19-7-9(15)8-19/h9,12H,2-8,16H2,1H3/t12-/m1/s1
InChIKeyGMINPOVFCYKUBD-GFCCVEGCSA-N
MW296.42 g/mol
LogP1.57
Rot. Bonds1

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

(6S)-2-(3-fluoroazetidin-1-yl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine (PubChem CID 167047830) has the molecular formula C14H21FN4S and a molecular weight of 296.42 g/mol. Its IUPAC name is (6S)-2-(3-fluoroazetidin-1-yl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine.

Molecular Properties

Compound Name(6S)-2-(3-fluoroazetidin-1-yl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
PubChem CID167047830
Molecular FormulaC14H21FN4S
Molecular Weight296.42 g/mol
Exact Mass296.15
IUPAC Name(6S)-2-(3-fluoroazetidin-1-yl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
SMILESCN1CCC2(CC1)Cc1nc(N3CC(F)C3)sc1[C@H]2N
InChIInChI=1S/C14H21FN4S/c1-18-4-2-14(3-5-18)6-10-11(12(14)16)20-13(17-10)19-7-9(15)8-19/h9,12H,2-8,16H2,1H3/t12-/m1/s1
InChIKeyGMINPOVFCYKUBD-GFCCVEGCSA-N
XLogP1.57
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-2-(3-fluoroazetidin-1-yl)-5,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine
CID 167047896
1'-Tert-butyl-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
CID 155187092
(6S)-2-methyl-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
CID 155187107
(6R)-1'-tert-butyl-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
CID 155187109
(6S)-1'-tert-butyl-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
CID 155623252
(6S)-2-chloro-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
CID 156482454
N,N,1'-trimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-amine
CID 167047828
(6S)-2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
CID 167307706
(6R)-2-methyl-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
CID 174363936
(6R)-2-chloro-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
CID 174369207
tert-butyl-[[(6S)-2-(dimethylamino)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium
CID 175230816
2-N,2-N-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2,6-diamine
CID 175230836

Frequently Asked Questions

What is the IUPAC name of (6S)-2-(3-fluoroazetidin-1-yl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine?
The IUPAC name of (6S)-2-(3-fluoroazetidin-1-yl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine (CID 167047830) is (6S)-2-(3-fluoroazetidin-1-yl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine.
What is the SMILES notation for (6S)-2-(3-fluoroazetidin-1-yl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine?
The canonical SMILES for (6S)-2-(3-fluoroazetidin-1-yl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine is CN1CCC2(CC1)Cc1nc(N3CC(F)C3)sc1[C@H]2N.
What is the InChIKey of (6S)-2-(3-fluoroazetidin-1-yl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine?
The InChIKey is GMINPOVFCYKUBD-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21FN4S/c1-18-4-2-14(3-5-18)6-10-11(12(14)16)20-13(17-10)19-7-9(15)8-19/h9,12H,2-8,16H2,1H3/t12-/m1/s1.
What are the key properties of (6S)-2-(3-fluoroazetidin-1-yl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine?
(6S)-2-(3-fluoroazetidin-1-yl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine has a molecular weight of 296.42 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-(3-fluoroazetidin-1-yl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine is sourced from PubChem (CID 167047830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).