(2S)-6-[(4-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine

C19H24FN3S — CID 129474275

IUPAC(2S)-6-[(4-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
SMILESCN(Cc1nccs1)[C@H]1CC12CCN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C19H24FN3S/c1-22(14-18-21-8-11-24-18)17-12-19(17)6-9-23(10-7-19)13-15-2-4-16(20)5-3-15/h2-5,8,11,17H,6-7,9-10,12-14H2,1H3/t17-/m0/s1
InChIKeyDWSXLDOCIXIFMD-KRWDZBQOSA-N
MW345.49 g/mol
LogP3.77
Rot. Bonds5

About (2S)-6-[(4-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine

(2S)-6-[(4-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine (PubChem CID 129474275) has the molecular formula C19H24FN3S and a molecular weight of 345.49 g/mol. Its IUPAC name is (2S)-6-[(4-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine.

Molecular Properties

Compound Name(2S)-6-[(4-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
PubChem CID129474275
Molecular FormulaC19H24FN3S
Molecular Weight345.49 g/mol
Exact Mass345.17
IUPAC Name(2S)-6-[(4-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
SMILESCN(Cc1nccs1)[C@H]1CC12CCN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C19H24FN3S/c1-22(14-18-21-8-11-24-18)17-12-19(17)6-9-23(10-7-19)13-15-2-4-16(20)5-3-15/h2-5,8,11,17H,6-7,9-10,12-14H2,1H3/t17-/m0/s1
InChIKeyDWSXLDOCIXIFMD-KRWDZBQOSA-N
XLogP3.77
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-6-[(4-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 129475121
(2S)-N-methyl-6-(1H-pyrazol-5-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 129474601
(2S)-N-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 129473677
(2S)-6-[(3-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 129475932
3-[[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methyl]benzamide
CID 128970567
6-(1,3-benzodioxol-4-ylmethyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 128994628
(2R)-6-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 129475406
4-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]benzonitrile
CID 129475438
[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(3-methylthiophen-2-yl)methanone
CID 129476463
2-fluoro-6-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]benzonitrile
CID 128973963
3-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]pyrazine-2-carbonitrile
CID 129477102
(2S)-6-(4-methoxypyrimidin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 129476502

Frequently Asked Questions

What is the IUPAC name of (2S)-6-[(4-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The IUPAC name of (2S)-6-[(4-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine (CID 129474275) is (2S)-6-[(4-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine.
What is the SMILES notation for (2S)-6-[(4-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The canonical SMILES for (2S)-6-[(4-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine is CN(Cc1nccs1)[C@H]1CC12CCN(Cc1ccc(F)cc1)CC2.
What is the InChIKey of (2S)-6-[(4-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The InChIKey is DWSXLDOCIXIFMD-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24FN3S/c1-22(14-18-21-8-11-24-18)17-12-19(17)6-9-23(10-7-19)13-15-2-4-16(20)5-3-15/h2-5,8,11,17H,6-7,9-10,12-14H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-6-[(4-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
(2S)-6-[(4-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine has a molecular weight of 345.49 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-[(4-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine is sourced from PubChem (CID 129474275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).