1,3-thiazol-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone

C13H15F3N2OS — CID 124841261

IUPAC1,3-thiazol-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone
SMILESO=C(c1cscn1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1
InChIInChI=1S/C13H15F3N2OS/c14-13(15,16)10-2-5-18(7-12(10)3-1-4-12)11(19)9-6-20-8-17-9/h6,8,10H,1-5,7H2/t10-/m0/s1
InChIKeyACZAZCYPYCNAQV-JTQLQIEISA-N
MW304.34 g/mol
LogP3.34
Rot. Bonds1

About 1,3-thiazol-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone

1,3-thiazol-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone (PubChem CID 124841261) has the molecular formula C13H15F3N2OS and a molecular weight of 304.34 g/mol. Its IUPAC name is 1,3-thiazol-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone.

Molecular Properties

Compound Name1,3-thiazol-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone
PubChem CID124841261
Molecular FormulaC13H15F3N2OS
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC Name1,3-thiazol-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone
SMILESO=C(c1cscn1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1
InChIInChI=1S/C13H15F3N2OS/c14-13(15,16)10-2-5-18(7-12(10)3-1-4-12)11(19)9-6-20-8-17-9/h6,8,10H,1-5,7H2/t10-/m0/s1
InChIKeyACZAZCYPYCNAQV-JTQLQIEISA-N
XLogP3.34
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone?
The IUPAC name of 1,3-thiazol-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone (CID 124841261) is 1,3-thiazol-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone.
What is the SMILES notation for 1,3-thiazol-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone?
The canonical SMILES for 1,3-thiazol-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone is O=C(c1cscn1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1.
What is the InChIKey of 1,3-thiazol-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone?
The InChIKey is ACZAZCYPYCNAQV-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15F3N2OS/c14-13(15,16)10-2-5-18(7-12(10)3-1-4-12)11(19)9-6-20-8-17-9/h6,8,10H,1-5,7H2/t10-/m0/s1.
What are the key properties of 1,3-thiazol-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone?
1,3-thiazol-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone has a molecular weight of 304.34 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone is sourced from PubChem (CID 124841261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).