cyclopropyl-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone;2,2,2-trifluoroacetic acid

C19H24F5N3O3S — CID 155855518

IUPACcyclopropyl-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCc1nc(CN2CCC3(C2)CN(C(=O)C2CC2)CCC3(F)F)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23F2N3OS.C2HF3O2/c1-12-20-14(9-24-12)8-21-6-4-16(10-21)11-22(7-5-17(16,18)19)15(23)13-2-3-13;3-2(4,5)1(6)7/h9,13H,2-8,10-11H2,1H3;(H,6,7)
InChIKeyUGLXCRDRLQTDGP-UHFFFAOYSA-N
MW469.48 g/mol
LogP3.55
Rot. Bonds3

About cyclopropyl-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone;2,2,2-trifluoroacetic acid

cyclopropyl-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155855518) has the molecular formula C19H24F5N3O3S and a molecular weight of 469.48 g/mol. Its IUPAC name is cyclopropyl-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namecyclopropyl-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID155855518
Molecular FormulaC19H24F5N3O3S
Molecular Weight469.48 g/mol
Exact Mass469.15
IUPAC Namecyclopropyl-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCc1nc(CN2CCC3(C2)CN(C(=O)C2CC2)CCC3(F)F)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23F2N3OS.C2HF3O2/c1-12-20-14(9-24-12)8-21-6-4-16(10-21)11-22(7-5-17(16,18)19)15(23)13-2-3-13;3-2(4,5)1(6)7/h9,13H,2-8,10-11H2,1H3;(H,6,7)
InChIKeyUGLXCRDRLQTDGP-UHFFFAOYSA-N
XLogP3.55
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cyclopropyl-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

1-[3-(Methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone;2,2,2-trifluoroacetic acid
CID 118742784
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
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
4-[[(5S)-9-(cyclopropylmethyl)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole
CID 97502506
4-[[(5R)-9-(cyclopropylmethyl)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole
CID 97502507
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110718169
1-{1-[(2-Cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}-4-(fluoromethyl)pyrrolidin-2-one
CID 126899771
Cyclopropyl-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 131654281
4-[[9-(Cyclopropylmethyl)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole
CID 131662258

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of cyclopropyl-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone;2,2,2-trifluoroacetic acid (CID 155855518) is cyclopropyl-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for cyclopropyl-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for cyclopropyl-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone;2,2,2-trifluoroacetic acid is Cc1nc(CN2CCC3(C2)CN(C(=O)C2CC2)CCC3(F)F)cs1.O=C(O)C(F)(F)F.
What is the InChIKey of cyclopropyl-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is UGLXCRDRLQTDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3OS.C2HF3O2/c1-12-20-14(9-24-12)8-21-6-4-16(10-21)11-22(7-5-17(16,18)19)15(23)13-2-3-13;3-2(4,5)1(6)7/h9,13H,2-8,10-11H2,1H3;(H,6,7).
What are the key properties of cyclopropyl-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone;2,2,2-trifluoroacetic acid?
cyclopropyl-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 469.48 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155855518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).