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

C18H25F2N3O2S — CID 131691168

IUPAC[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(oxolan-3-yl)methanone
SMILESCc1nc(CN2CCC3(C2)CN(C(=O)C2CCOC2)CCC3(F)F)cs1
InChIInChI=1S/C18H25F2N3O2S/c1-13-21-15(10-26-13)8-22-5-3-17(11-22)12-23(6-4-18(17,19)20)16(24)14-2-7-25-9-14/h10,14H,2-9,11-12H2,1H3
InChIKeyOFRWZJAUFLUBEW-UHFFFAOYSA-N
MW385.48 g/mol
LogP2.55
Rot. Bonds3

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

[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(oxolan-3-yl)methanone (PubChem CID 131691168) has the molecular formula C18H25F2N3O2S and a molecular weight of 385.48 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]-(oxolan-3-yl)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]-(oxolan-3-yl)methanone
PubChem CID131691168
Molecular FormulaC18H25F2N3O2S
Molecular Weight385.48 g/mol
Exact Mass385.16
IUPAC Name[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(oxolan-3-yl)methanone
SMILESCc1nc(CN2CCC3(C2)CN(C(=O)C2CCOC2)CCC3(F)F)cs1
InChIInChI=1S/C18H25F2N3O2S/c1-13-21-15(10-26-13)8-22-5-3-17(11-22)12-23(6-4-18(17,19)20)16(24)14-2-7-25-9-14/h10,14H,2-9,11-12H2,1H3
InChIKeyOFRWZJAUFLUBEW-UHFFFAOYSA-N
XLogP2.55
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-{rel-(3R,4S)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-propyl-3-pyrrolidinyl}tetrahydro-2H-pyran-4-carboxamide hydrochloride
CID 72926564
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
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
Cyclopropyl-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 131654281
1-[10,10-Difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-(1-hydroxycyclobutyl)ethanone
CID 131690838
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
[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
[4-(Methoxymethyl)oxan-4-yl]-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 132299676
[(3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-(1,2-oxazolidin-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155824315
[2-[(2-Methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 155827107
2-[(2-Methyl-1,3-thiazol-4-yl)methyl]-7-(oxolane-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155836380
[(3aR,7aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 155841787

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]-(oxolan-3-yl)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]-(oxolan-3-yl)methanone (CID 131691168) is [10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(oxolan-3-yl)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]-(oxolan-3-yl)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]-(oxolan-3-yl)methanone is Cc1nc(CN2CCC3(C2)CN(C(=O)C2CCOC2)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]-(oxolan-3-yl)methanone?
The InChIKey is OFRWZJAUFLUBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O2S/c1-13-21-15(10-26-13)8-22-5-3-17(11-22)12-23(6-4-18(17,19)20)16(24)14-2-7-25-9-14/h10,14H,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]-(oxolan-3-yl)methanone?
[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(oxolan-3-yl)methanone has a molecular weight of 385.48 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 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]-(oxolan-3-yl)methanone is sourced from PubChem (CID 131691168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).