[6-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]methanone

C25H35N7OS — CID 169104973

IUPAC[6-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCC(C)(C)c1ncc(CN2CC3(C2)CN(C(=O)N2CC4(CC(c5n[nH]c(C6CC6)n5)C4)C2)C3)s1
InChIInChI=1S/C25H35N7OS/c1-23(2,3)21-26-8-18(34-21)9-30-10-25(11-30)14-32(15-25)22(33)31-12-24(13-31)6-17(7-24)20-27-19(28-29-20)16-4-5-16/h8,16-17H,4-7,9-15H2,1-3H3,(H,27,28,29)
InChIKeyKTHZYIMWXWZNKA-UHFFFAOYSA-N
MW481.67 g/mol
LogP3.55
Rot. Bonds4

About [6-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]methanone

[6-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 169104973) has the molecular formula C25H35N7OS and a molecular weight of 481.67 g/mol. Its IUPAC name is [6-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

Compound Name[6-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]methanone
PubChem CID169104973
Molecular FormulaC25H35N7OS
Molecular Weight481.67 g/mol
Exact Mass481.26
IUPAC Name[6-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCC(C)(C)c1ncc(CN2CC3(C2)CN(C(=O)N2CC4(CC(c5n[nH]c(C6CC6)n5)C4)C2)C3)s1
InChIInChI=1S/C25H35N7OS/c1-23(2,3)21-26-8-18(34-21)9-30-10-25(11-30)14-32(15-25)22(33)31-12-24(13-31)6-17(7-24)20-27-19(28-29-20)16-4-5-16/h8,16-17H,4-7,9-15H2,1-3H3,(H,27,28,29)
InChIKeyKTHZYIMWXWZNKA-UHFFFAOYSA-N
XLogP3.55
TPSA81.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.67
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]methanone with MolForge

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Related Compounds

[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[3-(trifluoromethyl)-1,2-thiazol-5-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanone
CID 169105071
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanone
CID 169104257
[6-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]methanone
CID 169104507
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[5-(trifluoromethyl)-1,2-thiazol-3-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanone
CID 169105124
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[1-(trifluoromethyl)pyrazol-3-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanone
CID 169104944
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]methanone
CID 169104556
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone
CID 169104911
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-(5-spiro[3.3]heptan-2-ylpyrazin-2-yl)azetidin-1-yl]methanone
CID 169104896
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone
CID 169104850
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 169105560
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[4-(trifluoromethyl)imidazol-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 169104729
[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-[[4-(trifluoromethyl)triazol-2-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
CID 169104496

Frequently Asked Questions

What is the IUPAC name of [6-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]methanone?
The IUPAC name of [6-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]methanone (CID 169104973) is [6-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]methanone.
What is the SMILES notation for [6-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]methanone?
The canonical SMILES for [6-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]methanone is CC(C)(C)c1ncc(CN2CC3(C2)CN(C(=O)N2CC4(CC(c5n[nH]c(C6CC6)n5)C4)C2)C3)s1.
What is the InChIKey of [6-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]methanone?
The InChIKey is KTHZYIMWXWZNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7OS/c1-23(2,3)21-26-8-18(34-21)9-30-10-25(11-30)14-32(15-25)22(33)31-12-24(13-31)6-17(7-24)20-27-19(28-29-20)16-4-5-16/h8,16-17H,4-7,9-15H2,1-3H3,(H,27,28,29).
What are the key properties of [6-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]methanone?
[6-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 481.67 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 169104973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).