(5R)-N-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide

C16H22F3N3O2S — CID 129348047

IUPAC(5R)-N-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
SMILESO=C(NCCc1cscn1)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1
InChIInChI=1S/C16H22F3N3O2S/c17-16(18,19)13-2-6-22(10-15(13)3-7-24-8-4-15)14(23)20-5-1-12-9-25-11-21-12/h9,11,13H,1-8,10H2,(H,20,23)/t13-/m1/s1
InChIKeySZVBCOXJGICDSB-CYBMUJFWSA-N
MW377.43 g/mol
LogP3.08
Rot. Bonds3

About (5R)-N-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide

(5R)-N-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide (PubChem CID 129348047) has the molecular formula C16H22F3N3O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is (5R)-N-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide.

Molecular Properties

Compound Name(5R)-N-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
PubChem CID129348047
Molecular FormulaC16H22F3N3O2S
Molecular Weight377.43 g/mol
Exact Mass377.14
IUPAC Name(5R)-N-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
SMILESO=C(NCCc1cscn1)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1
InChIInChI=1S/C16H22F3N3O2S/c17-16(18,19)13-2-6-22(10-15(13)3-7-24-8-4-15)14(23)20-5-1-12-9-25-11-21-12/h9,11,13H,1-8,10H2,(H,20,23)/t13-/m1/s1
InChIKeySZVBCOXJGICDSB-CYBMUJFWSA-N
XLogP3.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 128854961
N-[(1-ethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 128682445
4-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]morpholine-2-carboxylic acid
CID 63824344
N-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 128701518
3-morpholin-4-ylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110305020
(9S)-N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide
CID 129347639
1-(2-cyclopentylacetyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 46390075
3-(1,3-thiazol-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 71983921
1-(cyclohexanecarbonyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 46390073
2-[1-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 63825245
(4S)-3,3-dimethyl-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 124855638
tert-butyl 4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate
CID 103730250

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The IUPAC name of (5R)-N-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide (CID 129348047) is (5R)-N-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide.
What is the SMILES notation for (5R)-N-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The canonical SMILES for (5R)-N-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide is O=C(NCCc1cscn1)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1.
What is the InChIKey of (5R)-N-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The InChIKey is SZVBCOXJGICDSB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22F3N3O2S/c17-16(18,19)13-2-6-22(10-15(13)3-7-24-8-4-15)14(23)20-5-1-12-9-25-11-21-12/h9,11,13H,1-8,10H2,(H,20,23)/t13-/m1/s1.
What are the key properties of (5R)-N-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
(5R)-N-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide has a molecular weight of 377.43 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide is sourced from PubChem (CID 129348047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).