N,N-dimethyl-2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide;2,2,2-trifluoroacetic acid

C19H27F3N4O4S — CID 155854870

IUPACN,N-dimethyl-2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESCc1nc(CN2CCCC3(CCN(CC(=O)N(C)C)C3=O)C2)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N4O2S.C2HF3O2/c1-13-18-14(11-24-13)9-20-7-4-5-17(12-20)6-8-21(16(17)23)10-15(22)19(2)3;3-2(4,5)1(6)7/h11H,4-10,12H2,1-3H3;(H,6,7)
InChIKeyBIFHKKLJVJDUGY-UHFFFAOYSA-N
MW464.51 g/mol
LogP1.99
Rot. Bonds4

About N,N-dimethyl-2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide;2,2,2-trifluoroacetic acid

N,N-dimethyl-2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 155854870) has the molecular formula C19H27F3N4O4S and a molecular weight of 464.51 g/mol. Its IUPAC name is N,N-dimethyl-2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID155854870
Molecular FormulaC19H27F3N4O4S
Molecular Weight464.51 g/mol
Exact Mass464.17
IUPAC NameN,N-dimethyl-2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESCc1nc(CN2CCCC3(CCN(CC(=O)N(C)C)C3=O)C2)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N4O2S.C2HF3O2/c1-13-18-14(11-24-13)9-20-7-4-5-17(12-20)6-8-21(16(17)23)10-15(22)19(2)3;3-2(4,5)1(6)7/h11H,4-10,12H2,1-3H3;(H,6,7)
InChIKeyBIFHKKLJVJDUGY-UHFFFAOYSA-N
XLogP1.99
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

4-Methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-propan-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one;2,2,2-trifluoroacetic acid
CID 118744416
1-Ethyl-4-methyl-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one;2,2,2-trifluoroacetic acid
CID 118744417
4-Methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-propanoyl-1,4,9-triazaspiro[5.5]undecan-5-one;2,2,2-trifluoroacetic acid
CID 118744421
8-(2-Methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 118745980
1,4-Dimethyl-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one;tris(2,2,2-trifluoroacetic acid)
CID 118747161
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 56514508
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
Cyclopropyl-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 131654281
9-(1-Fluorocyclobutanecarbonyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 131685193
1-[10,10-Difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-(1-hydroxycyclobutyl)ethanone
CID 131690838
1-[10,10-Difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-fluoropropan-1-one
CID 131691167

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide;2,2,2-trifluoroacetic acid (CID 155854870) is N,N-dimethyl-2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethyl-2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide;2,2,2-trifluoroacetic acid is Cc1nc(CN2CCCC3(CCN(CC(=O)N(C)C)C3=O)C2)cs1.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is BIFHKKLJVJDUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S.C2HF3O2/c1-13-18-14(11-24-13)9-20-7-4-5-17(12-20)6-8-21(16(17)23)10-15(22)19(2)3;3-2(4,5)1(6)7/h11H,4-10,12H2,1-3H3;(H,6,7).
What are the key properties of N,N-dimethyl-2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide;2,2,2-trifluoroacetic acid?
N,N-dimethyl-2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 464.51 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155854870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).