N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide

C17H24F3N3O2S — CID 128674210

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
SMILESCCc1cnc(CNC(=O)N2CCC(C(F)(F)F)C3(CCOCC3)C2)s1
InChIInChI=1S/C17H24F3N3O2S/c1-2-12-9-21-14(26-12)10-22-15(24)23-6-3-13(17(18,19)20)16(11-23)4-7-25-8-5-16/h9,13H,2-8,10-11H2,1H3,(H,22,24)
InChIKeyXVBWYVQYUGDQQQ-UHFFFAOYSA-N
MW391.46 g/mol
LogP3.60
Rot. Bonds3

About N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide (PubChem CID 128674210) has the molecular formula C17H24F3N3O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
PubChem CID128674210
Molecular FormulaC17H24F3N3O2S
Molecular Weight391.46 g/mol
Exact Mass391.15
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
SMILESCCc1cnc(CNC(=O)N2CCC(C(F)(F)F)C3(CCOCC3)C2)s1
InChIInChI=1S/C17H24F3N3O2S/c1-2-12-9-21-14(26-12)10-22-15(24)23-6-3-13(17(18,19)20)16(11-23)4-7-25-8-5-16/h9,13H,2-8,10-11H2,1H3,(H,22,24)
InChIKeyXVBWYVQYUGDQQQ-UHFFFAOYSA-N
XLogP3.60
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide (CID 128674210) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide is CCc1cnc(CNC(=O)N2CCC(C(F)(F)F)C3(CCOCC3)C2)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The InChIKey is XVBWYVQYUGDQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O2S/c1-2-12-9-21-14(26-12)10-22-15(24)23-6-3-13(17(18,19)20)16(11-23)4-7-25-8-5-16/h9,13H,2-8,10-11H2,1H3,(H,22,24).
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide has a molecular weight of 391.46 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide is sourced from PubChem (CID 128674210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).