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

C16H22F3N3OS — CID 131691167

IUPAC1-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-fluoropropan-1-one
SMILESCc1nc(CN2CCC3(C2)CN(C(=O)CCF)CCC3(F)F)cs1
InChIInChI=1S/C16H22F3N3OS/c1-12-20-13(9-24-12)8-21-6-3-15(10-21)11-22(14(23)2-5-17)7-4-16(15,18)19/h9H,2-8,10-11H2,1H3
InChIKeyJREMRNROLFVORX-UHFFFAOYSA-N
MW361.43 g/mol
LogP2.87
Rot. Bonds4

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

1-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-fluoropropan-1-one (PubChem CID 131691167) has the molecular formula C16H22F3N3OS and a molecular weight of 361.43 g/mol. Its IUPAC name is 1-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-fluoropropan-1-one.

Molecular Properties

Compound Name1-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-fluoropropan-1-one
PubChem CID131691167
Molecular FormulaC16H22F3N3OS
Molecular Weight361.43 g/mol
Exact Mass361.14
IUPAC Name1-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-fluoropropan-1-one
SMILESCc1nc(CN2CCC3(C2)CN(C(=O)CCF)CCC3(F)F)cs1
InChIInChI=1S/C16H22F3N3OS/c1-12-20-13(9-24-12)8-21-6-3-15(10-21)11-22(14(23)2-5-17)7-4-16(15,18)19/h9H,2-8,10-11H2,1H3
InChIKeyJREMRNROLFVORX-UHFFFAOYSA-N
XLogP2.87
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-fluoropropan-1-one 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
2-[(2-Propyl-1,3-thiazol-4-yl)carbonyl]-2,7-diazaspiro[4.5]decane
CID 56751947
1-[4-[(2-Ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile
CID 56819378
8-(2-Methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97493850
(4-Tert-butylpiperidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
CID 58395051
2,2-Dimethyl-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one
CID 126750503
3,3,3-Trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 51079880
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
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710931
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71988707

Frequently Asked Questions

What is the IUPAC name of 1-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-fluoropropan-1-one?
The IUPAC name of 1-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-fluoropropan-1-one (CID 131691167) is 1-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-fluoropropan-1-one.
What is the SMILES notation for 1-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-fluoropropan-1-one?
The canonical SMILES for 1-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-fluoropropan-1-one is Cc1nc(CN2CCC3(C2)CN(C(=O)CCF)CCC3(F)F)cs1.
What is the InChIKey of 1-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-fluoropropan-1-one?
The InChIKey is JREMRNROLFVORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3OS/c1-12-20-13(9-24-12)8-21-6-3-15(10-21)11-22(14(23)2-5-17)7-4-16(15,18)19/h9H,2-8,10-11H2,1H3.
What are the key properties of 1-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-fluoropropan-1-one?
1-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-fluoropropan-1-one has a molecular weight of 361.43 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-fluoropropan-1-one is sourced from PubChem (CID 131691167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).