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

C18H24F3N3OS — CID 131691174

IUPAC[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(1-fluorocyclobutyl)methanone
SMILESCc1nc(CN2CCC3(C2)CN(C(=O)C2(F)CCC2)CCC3(F)F)cs1
InChIInChI=1S/C18H24F3N3OS/c1-13-22-14(10-26-13)9-23-7-5-16(11-23)12-24(8-6-18(16,20)21)15(25)17(19)3-2-4-17/h10H,2-9,11-12H2,1H3
InChIKeyYSDIRPWETLZEMU-UHFFFAOYSA-N
MW387.47 g/mol
LogP3.40
Rot. Bonds3

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

[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(1-fluorocyclobutyl)methanone (PubChem CID 131691174) has the molecular formula C18H24F3N3OS and a molecular weight of 387.47 g/mol. Its IUPAC name is [10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(1-fluorocyclobutyl)methanone.

Molecular Properties

Compound Name[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(1-fluorocyclobutyl)methanone
PubChem CID131691174
Molecular FormulaC18H24F3N3OS
Molecular Weight387.47 g/mol
Exact Mass387.16
IUPAC Name[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(1-fluorocyclobutyl)methanone
SMILESCc1nc(CN2CCC3(C2)CN(C(=O)C2(F)CCC2)CCC3(F)F)cs1
InChIInChI=1S/C18H24F3N3OS/c1-13-22-14(10-26-13)9-23-7-5-16(11-23)12-24(8-6-18(16,20)21)15(25)17(19)3-2-4-17/h10H,2-9,11-12H2,1H3
InChIKeyYSDIRPWETLZEMU-UHFFFAOYSA-N
XLogP3.40
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(1-fluorocyclobutyl)methanone 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-[4-[(2-Ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile
CID 56819378
N-ethyl-1-(1,3-thiazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71988838
8-(2-Methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97493850
N-({2-[1-(3,3-dimethylbutanoyl)-3-piperidyl]-1,3-thiazol-4-yl}methyl)-1-cyclobutanecarboxamide
CID 71842037
N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
CID 53544551
4-[4-[(2-Ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 56043484
3-[4-(4-Methyl-1,3-thiazol-2-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 60296688
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71988707
[4-[(2-Tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
CID 78903012
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 86853856
[4-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
CID 86905355
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

Frequently Asked Questions

What is the IUPAC name of [10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(1-fluorocyclobutyl)methanone?
The IUPAC name of [10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(1-fluorocyclobutyl)methanone (CID 131691174) is [10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(1-fluorocyclobutyl)methanone.
What is the SMILES notation for [10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(1-fluorocyclobutyl)methanone?
The canonical SMILES for [10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(1-fluorocyclobutyl)methanone is Cc1nc(CN2CCC3(C2)CN(C(=O)C2(F)CCC2)CCC3(F)F)cs1.
What is the InChIKey of [10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(1-fluorocyclobutyl)methanone?
The InChIKey is YSDIRPWETLZEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3OS/c1-13-22-14(10-26-13)9-23-7-5-16(11-23)12-24(8-6-18(16,20)21)15(25)17(19)3-2-4-17/h10H,2-9,11-12H2,1H3.
What are the key properties of [10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(1-fluorocyclobutyl)methanone?
[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(1-fluorocyclobutyl)methanone has a molecular weight of 387.47 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(1-fluorocyclobutyl)methanone is sourced from PubChem (CID 131691174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).