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

C24H34N8OS — CID 171533126

IUPAC[6-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCC(C)(C)c1nnc(CN2CC3(C2)CN(C(=O)N2CC4(CC(n5cnc(C6CC6)n5)C4)C2)C3)s1
InChIInChI=1S/C24H34N8OS/c1-22(2,3)20-27-26-18(34-20)8-29-9-24(10-29)13-31(14-24)21(33)30-11-23(12-30)6-17(7-23)32-15-25-19(28-32)16-4-5-16/h15-17H,4-14H2,1-3H3
InChIKeyBREIBMMOKZZATQ-UHFFFAOYSA-N
MW482.66 g/mol
LogP2.88
Rot. Bonds4

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

[6-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 171533126) has the molecular formula C24H34N8OS and a molecular weight of 482.66 g/mol. Its IUPAC name is [6-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

Compound Name[6-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone
PubChem CID171533126
Molecular FormulaC24H34N8OS
Molecular Weight482.66 g/mol
Exact Mass482.26
IUPAC Name[6-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCC(C)(C)c1nnc(CN2CC3(C2)CN(C(=O)N2CC4(CC(n5cnc(C6CC6)n5)C4)C2)C3)s1
InChIInChI=1S/C24H34N8OS/c1-22(2,3)20-27-26-18(34-20)8-29-9-24(10-29)13-31(14-24)21(33)30-11-23(12-30)6-17(7-23)32-15-25-19(28-32)16-4-5-16/h15-17H,4-14H2,1-3H3
InChIKeyBREIBMMOKZZATQ-UHFFFAOYSA-N
XLogP2.88
TPSA83.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.66
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of [6-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone?
The IUPAC name of [6-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone (CID 171533126) is [6-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone.
What is the SMILES notation for [6-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone?
The canonical SMILES for [6-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone is CC(C)(C)c1nnc(CN2CC3(C2)CN(C(=O)N2CC4(CC(n5cnc(C6CC6)n5)C4)C2)C3)s1.
What is the InChIKey of [6-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone?
The InChIKey is BREIBMMOKZZATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N8OS/c1-22(2,3)20-27-26-18(34-20)8-29-9-24(10-29)13-31(14-24)21(33)30-11-23(12-30)6-17(7-23)32-15-25-19(28-32)16-4-5-16/h15-17H,4-14H2,1-3H3.
What are the key properties of [6-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone?
[6-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 482.66 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 171533126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).