N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid

C17H24F3N3O3S — CID 155840861

IUPACN,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1nc(CN2CCC3(CC2)CC3C(=O)N(C)C)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H23N3OS.C2HF3O2/c1-11-16-12(10-20-11)9-18-6-4-15(5-7-18)8-13(15)14(19)17(2)3;3-2(4,5)1(6)7/h10,13H,4-9H2,1-3H3;(H,6,7)
InChIKeyUFCUHTJKUFCEKF-UHFFFAOYSA-N
MW407.46 g/mol
LogP2.78
Rot. Bonds3

About N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid

N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155840861) has the molecular formula C17H24F3N3O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155840861
Molecular FormulaC17H24F3N3O3S
Molecular Weight407.46 g/mol
Exact Mass407.15
IUPAC NameN,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1nc(CN2CCC3(CC2)CC3C(=O)N(C)C)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H23N3OS.C2HF3O2/c1-11-16-12(10-20-11)9-18-6-4-15(5-7-18)8-13(15)14(19)17(2)3;3-2(4,5)1(6)7/h10,13H,4-9H2,1-3H3;(H,6,7)
InChIKeyUFCUHTJKUFCEKF-UHFFFAOYSA-N
XLogP2.78
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropyl-[(5R)-10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97399361
cyclopropyl-[(5S)-10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97399362
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110718169
N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride
CID 120129022
N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 120129023
Cyclopropyl-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 131654281
3-Cyclopropyl-3-methyl-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-one
CID 132299672
(2-Methyl-2-propan-2-ylcyclopropyl)-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 132299680
(2R,4R)-2-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 146109235
1-(difluoromethyl)-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 154758239
N-methyl-3-(3-methylpiperidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide;2,2,2-trifluoroacetic acid
CID 154891616
(3aR,7aR)-1-(cyclopentylmethyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one;2,2,2-trifluoroacetic acid
CID 155825343

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155840861) is N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid is Cc1nc(CN2CCC3(CC2)CC3C(=O)N(C)C)cs1.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is UFCUHTJKUFCEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS.C2HF3O2/c1-11-16-12(10-20-11)9-18-6-4-15(5-7-18)8-13(15)14(19)17(2)3;3-2(4,5)1(6)7/h10,13H,4-9H2,1-3H3;(H,6,7).
What are the key properties of N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid?
N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 407.46 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155840861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).