3-[5-[(2-cyclopropyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine

C22H24N6OS — CID 155230437

IUPAC3-[5-[(2-cyclopropyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESCc1cccnc1Nc1nc(-c2ccc(OC3CC4(C3)CN(C3CC3)C4)cn2)ns1
InChIInChI=1S/C22H24N6OS/c1-14-3-2-8-23-19(14)25-21-26-20(27-30-21)18-7-6-16(11-24-18)29-17-9-22(10-17)12-28(13-22)15-4-5-15/h2-3,6-8,11,15,17H,4-5,9-10,12-13H2,1H3,(H,23,25,26,27)
InChIKeyJWFYJVLMRZSZOY-UHFFFAOYSA-N
MW420.54 g/mol
LogP4.05
Rot. Bonds6

About 3-[5-[(2-cyclopropyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine

3-[5-[(2-cyclopropyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine (PubChem CID 155230437) has the molecular formula C22H24N6OS and a molecular weight of 420.54 g/mol. Its IUPAC name is 3-[5-[(2-cyclopropyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[5-[(2-cyclopropyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
PubChem CID155230437
Molecular FormulaC22H24N6OS
Molecular Weight420.54 g/mol
Exact Mass420.17
IUPAC Name3-[5-[(2-cyclopropyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESCc1cccnc1Nc1nc(-c2ccc(OC3CC4(C3)CN(C3CC3)C4)cn2)ns1
InChIInChI=1S/C22H24N6OS/c1-14-3-2-8-23-19(14)25-21-26-20(27-30-21)18-7-6-16(11-24-18)29-17-9-22(10-17)12-28(13-22)15-4-5-15/h2-3,6-8,11,15,17H,4-5,9-10,12-13H2,1H3,(H,23,25,26,27)
InChIKeyJWFYJVLMRZSZOY-UHFFFAOYSA-N
XLogP4.05
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[5-[(2-cyclopropyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2-cyclopropyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[5-[(2-cyclopropyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine (CID 155230437) is 3-[5-[(2-cyclopropyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[5-[(2-cyclopropyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[5-[(2-cyclopropyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine is Cc1cccnc1Nc1nc(-c2ccc(OC3CC4(C3)CN(C3CC3)C4)cn2)ns1.
What is the InChIKey of 3-[5-[(2-cyclopropyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is JWFYJVLMRZSZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6OS/c1-14-3-2-8-23-19(14)25-21-26-20(27-30-21)18-7-6-16(11-24-18)29-17-9-22(10-17)12-28(13-22)15-4-5-15/h2-3,6-8,11,15,17H,4-5,9-10,12-13H2,1H3,(H,23,25,26,27).
What are the key properties of 3-[5-[(2-cyclopropyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
3-[5-[(2-cyclopropyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 420.54 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2-cyclopropyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 155230437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).