cyclopropyl-[(5S)-10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone

C17H23F2N3OS — CID 97399362

IUPACcyclopropyl-[(5S)-10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCc1nc(CN2CC[C@]3(C2)CN(C(=O)C2CC2)CCC3(F)F)cs1
InChIInChI=1S/C17H23F2N3OS/c1-12-20-14(9-24-12)8-21-6-4-16(10-21)11-22(7-5-17(16,18)19)15(23)13-2-3-13/h9,13H,2-8,10-11H2,1H3/t16-/m0/s1
InChIKeyPQGYFEDPHWXPTR-INIZCTEOSA-N
MW355.45 g/mol
LogP2.92
Rot. Bonds3

About cyclopropyl-[(5S)-10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone

cyclopropyl-[(5S)-10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 97399362) has the molecular formula C17H23F2N3OS and a molecular weight of 355.45 g/mol. Its IUPAC name is cyclopropyl-[(5S)-10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(5S)-10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID97399362
Molecular FormulaC17H23F2N3OS
Molecular Weight355.45 g/mol
Exact Mass355.15
IUPAC Namecyclopropyl-[(5S)-10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCc1nc(CN2CC[C@]3(C2)CN(C(=O)C2CC2)CCC3(F)F)cs1
InChIInChI=1S/C17H23F2N3OS/c1-12-20-14(9-24-12)8-21-6-4-16(10-21)11-22(7-5-17(16,18)19)15(23)13-2-3-13/h9,13H,2-8,10-11H2,1H3/t16-/m0/s1
InChIKeyPQGYFEDPHWXPTR-INIZCTEOSA-N
XLogP2.92
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopropyl-[(5S)-10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 53521435
N-methyl-N-(4-methylcyclohexyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 53544547
N-ethyl-1-(1,3-thiazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71988838
N-[[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
CID 53149426
N-({2-[1-(3,3-dimethylbutanoyl)-3-piperidyl]-1,3-thiazol-4-yl}methyl)propanamide
CID 71842095
(4-Tert-butylpiperidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
CID 58395051
2,2,2-trifluoro-N-[1-[2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]pyrrolidin-3-yl]acetamide
CID 3759091
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

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(5S)-10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of cyclopropyl-[(5S)-10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 97399362) is cyclopropyl-[(5S)-10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for cyclopropyl-[(5S)-10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for cyclopropyl-[(5S)-10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone is Cc1nc(CN2CC[C@]3(C2)CN(C(=O)C2CC2)CCC3(F)F)cs1.
What is the InChIKey of cyclopropyl-[(5S)-10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is PQGYFEDPHWXPTR-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23F2N3OS/c1-12-20-14(9-24-12)8-21-6-4-16(10-21)11-22(7-5-17(16,18)19)15(23)13-2-3-13/h9,13H,2-8,10-11H2,1H3/t16-/m0/s1.
What are the key properties of cyclopropyl-[(5S)-10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone?
cyclopropyl-[(5S)-10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone has a molecular weight of 355.45 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(5S)-10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 97399362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).