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

C19H27F2N3O2S — CID 131690838

IUPAC1-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-(1-hydroxycyclobutyl)ethanone
SMILESCc1nc(CN2CCC3(C2)CN(C(=O)CC2(O)CCC2)CCC3(F)F)cs1
InChIInChI=1S/C19H27F2N3O2S/c1-14-22-15(11-27-14)10-23-7-5-17(12-23)13-24(8-6-19(17,20)21)16(25)9-18(26)3-2-4-18/h11,26H,2-10,12-13H2,1H3
InChIKeyVHZYUIVCEXUIJX-UHFFFAOYSA-N
MW399.51 g/mol
LogP2.82
Rot. Bonds4

About 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

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 (PubChem CID 131690838) has the molecular formula C19H27F2N3O2S and a molecular weight of 399.51 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]-2-(1-hydroxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-(1-hydroxycyclobutyl)ethanone
PubChem CID131690838
Molecular FormulaC19H27F2N3O2S
Molecular Weight399.51 g/mol
Exact Mass399.18
IUPAC Name1-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-(1-hydroxycyclobutyl)ethanone
SMILESCc1nc(CN2CCC3(C2)CN(C(=O)CC2(O)CCC2)CCC3(F)F)cs1
InChIInChI=1S/C19H27F2N3O2S/c1-14-22-15(11-27-14)10-23-7-5-17(12-23)13-24(8-6-19(17,20)21)16(25)9-18(26)3-2-4-18/h11,26H,2-10,12-13H2,1H3
InChIKeyVHZYUIVCEXUIJX-UHFFFAOYSA-N
XLogP2.82
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

1-[4-(2-Cyclopentylacetyl)piperazin-1-yl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butan-1-one
CID 56205233
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
2,2-Difluoro-2-(1-hydroxycyclobutyl)-1-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 109634894
1-[3-(4-Ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2-difluoro-2-(1-hydroxycyclobutyl)ethanone
CID 109634962
2,2-Difluoro-2-(1-hydroxycyclobutyl)-1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 109635072
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 109899028
2-(1-hydroxycyclopentyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 111541107
2,2-Difluoro-2-(1-hydroxycyclobutyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 112432589
2,2-Difluoro-2-(1-hydroxycyclobutyl)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 112432816
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide
CID 112432850
Cyclopropyl-[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 131654281

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]-2-(1-hydroxycyclobutyl)ethanone?
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]-2-(1-hydroxycyclobutyl)ethanone (CID 131690838) is 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.
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]-2-(1-hydroxycyclobutyl)ethanone?
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]-2-(1-hydroxycyclobutyl)ethanone is Cc1nc(CN2CCC3(C2)CN(C(=O)CC2(O)CCC2)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]-2-(1-hydroxycyclobutyl)ethanone?
The InChIKey is VHZYUIVCEXUIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N3O2S/c1-14-22-15(11-27-14)10-23-7-5-17(12-23)13-24(8-6-19(17,20)21)16(25)9-18(26)3-2-4-18/h11,26H,2-10,12-13H2,1H3.
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]-2-(1-hydroxycyclobutyl)ethanone?
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 has a molecular weight of 399.51 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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]-2-(1-hydroxycyclobutyl)ethanone is sourced from PubChem (CID 131690838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).