2-[2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]-1,3-thiazole

C14H17N5S — CID 97472616

IUPAC2-[2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]-1,3-thiazole
SMILESCc1ccc(N2CC3(CCN(c4nccs4)C3)C2)nn1
InChIInChI=1S/C14H17N5S/c1-11-2-3-12(17-16-11)19-9-14(10-19)4-6-18(8-14)13-15-5-7-20-13/h2-3,5,7H,4,6,8-10H2,1H3
InChIKeyUTTPPEJJEOPGOY-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.96
Rot. Bonds2

About 2-[2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]-1,3-thiazole

2-[2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]-1,3-thiazole (PubChem CID 97472616) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-[2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]-1,3-thiazole
PubChem CID97472616
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC Name2-[2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]-1,3-thiazole
SMILESCc1ccc(N2CC3(CCN(c4nccs4)C3)C2)nn1
InChIInChI=1S/C14H17N5S/c1-11-2-3-12(17-16-11)19-9-14(10-19)4-6-18(8-14)13-15-5-7-20-13/h2-3,5,7H,4,6,8-10H2,1H3
InChIKeyUTTPPEJJEOPGOY-UHFFFAOYSA-N
XLogP1.96
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]-1,3-thiazole?
The IUPAC name of 2-[2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]-1,3-thiazole (CID 97472616) is 2-[2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]-1,3-thiazole is Cc1ccc(N2CC3(CCN(c4nccs4)C3)C2)nn1.
What is the InChIKey of 2-[2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]-1,3-thiazole?
The InChIKey is UTTPPEJJEOPGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-11-2-3-12(17-16-11)19-9-14(10-19)4-6-18(8-14)13-15-5-7-20-13/h2-3,5,7H,4,6,8-10H2,1H3.
What are the key properties of 2-[2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]-1,3-thiazole?
2-[2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]-1,3-thiazole has a molecular weight of 287.39 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]-1,3-thiazole is sourced from PubChem (CID 97472616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).