(2-methyl-1,3-thiazol-4-yl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid

C19H26F3N3O4S — CID 155869834

IUPAC(2-methyl-1,3-thiazol-4-yl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCc1nc(C(=O)N2CC[C@@]3(C[C@H](N4CCCC4)CCO3)C2)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25N3O2S.C2HF3O2/c1-13-18-15(11-23-13)16(21)20-8-5-17(12-20)10-14(4-9-22-17)19-6-2-3-7-19;3-2(4,5)1(6)7/h11,14H,2-10,12H2,1H3;(H,6,7)/t14-,17-;/m1./s1
InChIKeyCXARVYAMFSUACN-SATBOSKTSA-N
MW449.50 g/mol
LogP2.94
Rot. Bonds2

About (2-methyl-1,3-thiazol-4-yl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid

(2-methyl-1,3-thiazol-4-yl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155869834) has the molecular formula C19H26F3N3O4S and a molecular weight of 449.50 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID155869834
Molecular FormulaC19H26F3N3O4S
Molecular Weight449.50 g/mol
Exact Mass449.16
IUPAC Name(2-methyl-1,3-thiazol-4-yl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCc1nc(C(=O)N2CC[C@@]3(C[C@H](N4CCCC4)CCO3)C2)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25N3O2S.C2HF3O2/c1-13-18-15(11-23-13)16(21)20-8-5-17(12-20)10-14(4-9-22-17)19-6-2-3-7-19;3-2(4,5)1(6)7/h11,14H,2-10,12H2,1H3;(H,6,7)/t14-,17-;/m1./s1
InChIKeyCXARVYAMFSUACN-SATBOSKTSA-N
XLogP2.94
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-methyl-1,3-thiazol-4-yl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R,5S)-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 127021964
4-Butyl-3-(cyclohexylmethyl)-8-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 160679482
[(3R,3aS,7aR)-3-ethoxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155824026
[(4aS,8R,8aS)-8-pyrrolidin-1-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155824060
[2-(Oxolan-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155826933
1-[(5R,9R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 155830108
[2-(Cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155830160
[3-(Cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155830186
[2-(Methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155838073
[9-(Oxolan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155840288
[1-(Cyclopropylmethyl)-2-(methoxymethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155842503
N-[[(5R,7S)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155849216

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid (CID 155869834) is (2-methyl-1,3-thiazol-4-yl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid is Cc1nc(C(=O)N2CC[C@@]3(C[C@H](N4CCCC4)CCO3)C2)cs1.O=C(O)C(F)(F)F.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is CXARVYAMFSUACN-SATBOSKTSA-N. The full InChI is InChI=1S/C17H25N3O2S.C2HF3O2/c1-13-18-15(11-23-13)16(21)20-8-5-17(12-20)10-14(4-9-22-17)19-6-2-3-7-19;3-2(4,5)1(6)7/h11,14H,2-10,12H2,1H3;(H,6,7)/t14-,17-;/m1./s1.
What are the key properties of (2-methyl-1,3-thiazol-4-yl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid?
(2-methyl-1,3-thiazol-4-yl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 449.50 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-4-yl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155869834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).