2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid

C19H28F3N5O4S — CID 155829955

IUPAC2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCN1CC2(CC1=O)CN(Cc1nccs1)CCN(C(=O)N(C)C)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C17H27N5O2S.C2HF3O2/c1-4-21-12-17(9-15(21)23)11-20(10-14-18-5-8-25-14)6-7-22(13-17)16(24)19(2)3;3-2(4,5)1(6)7/h5,8H,4,6-7,9-13H2,1-3H3;(H,6,7)
InChIKeyWYKLRMUBFACCCF-UHFFFAOYSA-N
MW479.53 g/mol
LogP1.81
Rot. Bonds3

About 2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid

2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155829955) has the molecular formula C19H28F3N5O4S and a molecular weight of 479.53 g/mol. Its IUPAC name is 2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155829955
Molecular FormulaC19H28F3N5O4S
Molecular Weight479.53 g/mol
Exact Mass479.18
IUPAC Name2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCN1CC2(CC1=O)CN(Cc1nccs1)CCN(C(=O)N(C)C)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C17H27N5O2S.C2HF3O2/c1-4-21-12-17(9-15(21)23)11-20(10-14-18-5-8-25-14)6-7-22(13-17)16(24)19(2)3;3-2(4,5)1(6)7/h5,8H,4,6-7,9-13H2,1-3H3;(H,6,7)
InChIKeyWYKLRMUBFACCCF-UHFFFAOYSA-N
XLogP1.81
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

2-ethyl-N,N-dimethyl-3-oxo-10-(pyridin-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155833183
(5R)-2-methyl-10-(2-methylpropanoyl)-7-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360086
(5S)-2-methyl-10-(2-methylpropanoyl)-7-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360085
(5S)-10-acetyl-2-methyl-7-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360069
2-ethyl-N,N-dimethyl-3-oxo-10-(thiophen-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 131654839
2-ethyl-7-(2-methylpropanoyl)-10-[(5-methylthiophen-2-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155841072
2-(1,3-benzodioxol-5-yl)-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155853023
1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 3233453
4,9-bis(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155853847
2-[[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155846253
(5S)-2-ethyl-N,N-dimethyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360273
2,2,2-trifluoroacetic acid;N,N,2-trimethyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide
CID 155826617

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid (CID 155829955) is 2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid is CCN1CC2(CC1=O)CN(Cc1nccs1)CCN(C(=O)N(C)C)C2.O=C(O)C(F)(F)F.
What is the InChIKey of 2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is WYKLRMUBFACCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2S.C2HF3O2/c1-4-21-12-17(9-15(21)23)11-20(10-14-18-5-8-25-14)6-7-22(13-17)16(24)19(2)3;3-2(4,5)1(6)7/h5,8H,4,6-7,9-13H2,1-3H3;(H,6,7).
What are the key properties of 2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid?
2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 479.53 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155829955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).