2-methyl-4-[(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid

C16H24F3N3O4S2 — CID 155869541

IUPAC2-methyl-4-[(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
SMILESCc1nc(CN2CCCC3(CCCN3S(C)(=O)=O)C2)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H23N3O2S2.C2HF3O2/c1-12-15-13(10-20-12)9-16-7-3-5-14(11-16)6-4-8-17(14)21(2,18)19;3-2(4,5)1(6)7/h10H,3-9,11H2,1-2H3;(H,6,7)
InChIKeyYHWHWLXHLWOHJB-UHFFFAOYSA-N
MW443.51 g/mol
LogP2.47
Rot. Bonds3

About 2-methyl-4-[(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid

2-methyl-4-[(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid (PubChem CID 155869541) has the molecular formula C16H24F3N3O4S2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 2-methyl-4-[(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methyl-4-[(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
PubChem CID155869541
Molecular FormulaC16H24F3N3O4S2
Molecular Weight443.51 g/mol
Exact Mass443.12
IUPAC Name2-methyl-4-[(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
SMILESCc1nc(CN2CCCC3(CCCN3S(C)(=O)=O)C2)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H23N3O2S2.C2HF3O2/c1-12-15-13(10-20-12)9-16-7-3-5-14(11-16)6-4-8-17(14)21(2,18)19;3-2(4,5)1(6)7/h10H,3-9,11H2,1-2H3;(H,6,7)
InChIKeyYHWHWLXHLWOHJB-UHFFFAOYSA-N
XLogP2.47
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-[(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;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

1-Methylsulfonyl-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 155828276
4-[[(4R,4aS,7aS)-1-ethylsulfonyl-4-methoxy-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]methyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 155831327
1-[1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155834789
2-[[4-(Methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 155834936
4-[[(3aS,6aR)-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]methyl]-2-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155839163
(3aS,7aS)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-5-sulfonamide;2,2,2-trifluoroacetic acid
CID 155840663
1-[1'-Methylsulfonyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[2,3a,5,6,7,7a-hexahydropyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155848934
4-[[(4S,4aS,7aS)-4-methoxy-1-methylsulfonyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]methyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 155850779
4-[[(4R,4aS,7aS)-4-methoxy-1-methylsulfonyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]methyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 155851852
2-Methyl-4-[(2-propylsulfonyl-2,7-diazaspiro[3.4]octan-7-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 155854636
8-Methylsulfonyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155854844
8-Ethylsulfonyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155855062

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methyl-4-[(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid (CID 155869541) is 2-methyl-4-[(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methyl-4-[(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methyl-4-[(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid is Cc1nc(CN2CCCC3(CCCN3S(C)(=O)=O)C2)cs1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methyl-4-[(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid?
The InChIKey is YHWHWLXHLWOHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S2.C2HF3O2/c1-12-15-13(10-20-12)9-16-7-3-5-14(11-16)6-4-8-17(14)21(2,18)19;3-2(4,5)1(6)7/h10H,3-9,11H2,1-2H3;(H,6,7).
What are the key properties of 2-methyl-4-[(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid?
2-methyl-4-[(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid has a molecular weight of 443.51 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155869541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).