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

C19H23F2N3OS2 — CID 131691279

IUPAC[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(4-methylthiophen-2-yl)methanone
SMILESCc1csc(C(=O)N2CCC(F)(F)C3(CCN(Cc4csc(C)n4)C3)C2)c1
InChIInChI=1S/C19H23F2N3OS2/c1-13-7-16(27-9-13)17(25)24-6-4-19(20,21)18(12-24)3-5-23(11-18)8-15-10-26-14(2)22-15/h7,9-10H,3-6,8,11-12H2,1-2H3
InChIKeyKEUXUYUUTLPMKS-UHFFFAOYSA-N
MW411.54 g/mol
LogP4.19
Rot. Bonds3

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

[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(4-methylthiophen-2-yl)methanone (PubChem CID 131691279) has the molecular formula C19H23F2N3OS2 and a molecular weight of 411.54 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]-(4-methylthiophen-2-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]-(4-methylthiophen-2-yl)methanone
PubChem CID131691279
Molecular FormulaC19H23F2N3OS2
Molecular Weight411.54 g/mol
Exact Mass411.13
IUPAC Name[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(4-methylthiophen-2-yl)methanone
SMILESCc1csc(C(=O)N2CCC(F)(F)C3(CCN(Cc4csc(C)n4)C3)C2)c1
InChIInChI=1S/C19H23F2N3OS2/c1-13-7-16(27-9-13)17(25)24-6-4-19(20,21)18(12-24)3-5-23(11-18)8-15-10-26-14(2)22-15/h7,9-10H,3-6,8,11-12H2,1-2H3
InChIKeyKEUXUYUUTLPMKS-UHFFFAOYSA-N
XLogP4.19
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.54
LogP ≤ 54.19
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]-(4-methylthiophen-2-yl)methanone with MolForge

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Related Compounds

[4-[(2-Cyclohexyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 45891557
(3-Fluorophenyl)-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 29697763
(4-((4-Methylthiazol-2-yl)methyl)piperazin-1-yl)(2-(trifluoromethyl)phenyl)methanone
CID 29697771
[4-[(4-Methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 29697774
(2,4-Difluorophenyl)-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 29697846
(4-{[4-(p-Fluorophenyl)-1,3-thiazol-2-yl]methyl}-1-piperazinyl)(2-thienyl)methanone
CID 29698188
{4-[(4-Tert-butyl-1,3-thiazol-2-yl)methyl]-1-piperazinyl}(3,4-difluorophenyl)methanone
CID 30860418
(4-((4-(Tert-butyl)thiazol-2-yl)methyl)piperazin-1-yl)(3-(trifluoromethyl)phenyl)methanone
CID 30860421
(o-Fluorophenyl)(4-{[4-(2-thienyl)-1,3-thiazol-2-yl]methyl}-1-piperazinyl)methanone
CID 30860602
(4-{[4-(2-Thienyl)-1,3-thiazol-2-yl]methyl}-1-piperazinyl)[m-(trifluoromethyl)phenyl]methanone
CID 30860604
[4-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 38470283
(3-Methylthiophen-2-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
CID 47379804

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]-(4-methylthiophen-2-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]-(4-methylthiophen-2-yl)methanone (CID 131691279) is [10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(4-methylthiophen-2-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]-(4-methylthiophen-2-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]-(4-methylthiophen-2-yl)methanone is Cc1csc(C(=O)N2CCC(F)(F)C3(CCN(Cc4csc(C)n4)C3)C2)c1.
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]-(4-methylthiophen-2-yl)methanone?
The InChIKey is KEUXUYUUTLPMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3OS2/c1-13-7-16(27-9-13)17(25)24-6-4-19(20,21)18(12-24)3-5-23(11-18)8-15-10-26-14(2)22-15/h7,9-10H,3-6,8,11-12H2,1-2H3.
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]-(4-methylthiophen-2-yl)methanone?
[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(4-methylthiophen-2-yl)methanone has a molecular weight of 411.54 g/mol, XLogP of 4.19, 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]-(4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 131691279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).