8-(2-methylpropylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-azaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid

C20H30F3N3O3S — CID 171692524

IUPAC8-(2-methylpropylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-azaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
SMILESCc1nc(CN2C(=O)CCC23CCC(NCC(C)C)CC3)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H29N3OS.C2HF3O2/c1-13(2)10-19-15-4-7-18(8-5-15)9-6-17(22)21(18)11-16-12-23-14(3)20-16;3-2(4,5)1(6)7/h12-13,15,19H,4-11H2,1-3H3;(H,6,7)
InChIKeyMQLIHAAGCZCYAM-UHFFFAOYSA-N
MW449.54 g/mol
LogP4.13
Rot. Bonds5

About 8-(2-methylpropylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-azaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid

8-(2-methylpropylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-azaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid (PubChem CID 171692524) has the molecular formula C20H30F3N3O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is 8-(2-methylpropylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-azaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-(2-methylpropylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-azaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
PubChem CID171692524
Molecular FormulaC20H30F3N3O3S
Molecular Weight449.54 g/mol
Exact Mass449.20
IUPAC Name8-(2-methylpropylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-azaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
SMILESCc1nc(CN2C(=O)CCC23CCC(NCC(C)C)CC3)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H29N3OS.C2HF3O2/c1-13(2)10-19-15-4-7-18(8-5-15)9-6-17(22)21(18)11-16-12-23-14(3)20-16;3-2(4,5)1(6)7/h12-13,15,19H,4-11H2,1-3H3;(H,6,7)
InChIKeyMQLIHAAGCZCYAM-UHFFFAOYSA-N
XLogP4.13
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-(2-methylpropylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-azaspiro[4.5]decan-2-one;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

(3aR,7aR)-1-(cyclopentylmethyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one;2,2,2-trifluoroacetic acid
CID 155825343
N-(cyclopropylmethyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155826398
9-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155833871
N-cyclopropyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155840535
1-Prop-2-enyl-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155841613
9-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1,9-diazaspiro[5.5]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155842102
(3aR,7aS)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-5-one;2,2,2-trifluoroacetic acid
CID 155845426
8-[(2-Methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155845691
8-(2-Methylpropylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-azaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155854537
8-(Cyclopentylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155854950
9-Butan-2-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155867685
9-(2-Methylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155867687

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylpropylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-azaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-(2-methylpropylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-azaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid (CID 171692524) is 8-(2-methylpropylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-azaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-(2-methylpropylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-azaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-(2-methylpropylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-azaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid is Cc1nc(CN2C(=O)CCC23CCC(NCC(C)C)CC3)cs1.O=C(O)C(F)(F)F.
What is the InChIKey of 8-(2-methylpropylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-azaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is MQLIHAAGCZCYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3OS.C2HF3O2/c1-13(2)10-19-15-4-7-18(8-5-15)9-6-17(22)21(18)11-16-12-23-14(3)20-16;3-2(4,5)1(6)7/h12-13,15,19H,4-11H2,1-3H3;(H,6,7).
What are the key properties of 8-(2-methylpropylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-azaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid?
8-(2-methylpropylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-azaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 449.54 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylpropylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-azaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171692524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).