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

C21H28F6N4O6S — CID 155854760

IUPACN,N-dimethyl-2-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
SMILESCc1nc(CN2CCC3(CCCN(CC(=O)N(C)C)C3)C2=O)cs1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N4O2S.2C2HF3O2/c1-13-18-14(11-24-13)9-21-8-6-17(16(21)23)5-4-7-20(12-17)10-15(22)19(2)3;2*3-2(4,5)1(6)7/h11H,4-10,12H2,1-3H3;2*(H,6,7)
InChIKeyJOLBGHYQKOFOSX-UHFFFAOYSA-N
MW578.53 g/mol
LogP2.62
Rot. Bonds4

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

N,N-dimethyl-2-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]acetamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155854760) has the molecular formula C21H28F6N4O6S and a molecular weight of 578.53 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]acetamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID155854760
Molecular FormulaC21H28F6N4O6S
Molecular Weight578.53 g/mol
Exact Mass578.16
IUPAC NameN,N-dimethyl-2-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
SMILESCc1nc(CN2CCC3(CCCN(CC(=O)N(C)C)C3)C2=O)cs1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N4O2S.2C2HF3O2/c1-13-18-14(11-24-13)9-21-8-6-17(16(21)23)5-4-7-20(12-17)10-15(22)19(2)3;2*3-2(4,5)1(6)7/h11H,4-10,12H2,1-3H3;2*(H,6,7)
InChIKeyJOLBGHYQKOFOSX-UHFFFAOYSA-N
XLogP2.62
TPSA131.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.53
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-2-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]acetamide;bis(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
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]-3-fluoropropan-1-one
CID 131691167
[10,10-Difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(1-fluorocyclobutyl)methanone
CID 131691174
N-methyl-3-(3-methylpiperidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide;2,2,2-trifluoroacetic acid
CID 154891616

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]acetamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N,N-dimethyl-2-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]acetamide;bis(2,2,2-trifluoroacetic acid) (CID 155854760) is N,N-dimethyl-2-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]acetamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N,N-dimethyl-2-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]acetamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N,N-dimethyl-2-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]acetamide;bis(2,2,2-trifluoroacetic acid) is Cc1nc(CN2CCC3(CCCN(CC(=O)N(C)C)C3)C2=O)cs1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]acetamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is JOLBGHYQKOFOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S.2C2HF3O2/c1-13-18-14(11-24-13)9-21-8-6-17(16(21)23)5-4-7-20(12-17)10-15(22)19(2)3;2*3-2(4,5)1(6)7/h11H,4-10,12H2,1-3H3;2*(H,6,7).
What are the key properties of N,N-dimethyl-2-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]acetamide;bis(2,2,2-trifluoroacetic acid)?
N,N-dimethyl-2-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]acetamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 578.53 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]acetamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155854760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).