[6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid

C19H26F3N3O4S — CID 155836524

IUPAC[6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCc1nc(CN2CCC3(CC2)CC3C(=O)N2CCOCC2)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25N3O2S.C2HF3O2/c1-13-18-14(12-23-13)11-19-4-2-17(3-5-19)10-15(17)16(21)20-6-8-22-9-7-20;3-2(4,5)1(6)7/h12,15H,2-11H2,1H3;(H,6,7)
InChIKeyLRZZHSLLWJHSSN-UHFFFAOYSA-N
MW449.50 g/mol
LogP2.55
Rot. Bonds3

About [6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid

[6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 155836524) has the molecular formula C19H26F3N3O4S and a molecular weight of 449.50 g/mol. Its IUPAC name is [6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
PubChem CID155836524
Molecular FormulaC19H26F3N3O4S
Molecular Weight449.50 g/mol
Exact Mass449.16
IUPAC Name[6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCc1nc(CN2CCC3(CC2)CC3C(=O)N2CCOCC2)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25N3O2S.C2HF3O2/c1-13-18-14(12-23-13)11-19-4-2-17(3-5-19)10-15(17)16(21)20-6-8-22-9-7-20;3-2(4,5)1(6)7/h12,15H,2-11H2,1H3;(H,6,7)
InChIKeyLRZZHSLLWJHSSN-UHFFFAOYSA-N
XLogP2.55
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

9-(Cyclopropylmethyl)-5-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 118743644
5,9-Dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 118743663
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-Fluorocyclopropyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 131688967
(3,3-Difluorocyclobutyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 131689307
2-(2-Methoxyethyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155823594
2-(2-Methoxyethyl)-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one;2,2,2-trifluoroacetic acid
CID 155827947
9-(2-Methoxyacetyl)-1-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one;2,2,2-trifluoroacetic acid
CID 155833787
1-(2-Methoxyethyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155835414
9-Ethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155836446
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
9-(Cyclopropylmethyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155843533

Frequently Asked Questions

What is the IUPAC name of [6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid (CID 155836524) is [6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid is Cc1nc(CN2CCC3(CC2)CC3C(=O)N2CCOCC2)cs1.O=C(O)C(F)(F)F.
What is the InChIKey of [6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The InChIKey is LRZZHSLLWJHSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S.C2HF3O2/c1-13-18-14(12-23-13)11-19-4-2-17(3-5-19)10-15(17)16(21)20-6-8-22-9-7-20;3-2(4,5)1(6)7/h12,15H,2-11H2,1H3;(H,6,7).
What are the key properties of [6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?
[6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 449.50 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155836524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).