2-pyridazin-3-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylic acid

C15H15N5O3S — CID 170755939

IUPAC2-pyridazin-3-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cncs2)CC12CN(c1cccnn1)C2
InChIInChI=1S/C15H15N5O3S/c21-13(11-4-16-9-24-11)19-5-10(14(22)23)15(6-19)7-20(8-15)12-2-1-3-17-18-12/h1-4,9-10H,5-8H2,(H,22,23)
InChIKeyRTTJWYSWOVTADM-UHFFFAOYSA-N
MW345.38 g/mol
LogP0.60
Rot. Bonds3

About 2-pyridazin-3-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylic acid

2-pyridazin-3-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylic acid (PubChem CID 170755939) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is 2-pyridazin-3-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylic acid.

Molecular Properties

Compound Name2-pyridazin-3-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylic acid
PubChem CID170755939
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC Name2-pyridazin-3-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cncs2)CC12CN(c1cccnn1)C2
InChIInChI=1S/C15H15N5O3S/c21-13(11-4-16-9-24-11)19-5-10(14(22)23)15(6-19)7-20(8-15)12-2-1-3-17-18-12/h1-4,9-10H,5-8H2,(H,22,23)
InChIKeyRTTJWYSWOVTADM-UHFFFAOYSA-N
XLogP0.60
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-3-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylic acid?
The IUPAC name of 2-pyridazin-3-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylic acid (CID 170755939) is 2-pyridazin-3-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylic acid.
What is the SMILES notation for 2-pyridazin-3-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylic acid?
The canonical SMILES for 2-pyridazin-3-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylic acid is O=C(O)C1CN(C(=O)c2cncs2)CC12CN(c1cccnn1)C2.
What is the InChIKey of 2-pyridazin-3-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylic acid?
The InChIKey is RTTJWYSWOVTADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c21-13(11-4-16-9-24-11)19-5-10(14(22)23)15(6-19)7-20(8-15)12-2-1-3-17-18-12/h1-4,9-10H,5-8H2,(H,22,23).
What are the key properties of 2-pyridazin-3-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylic acid?
2-pyridazin-3-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylic acid has a molecular weight of 345.38 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-3-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylic acid is sourced from PubChem (CID 170755939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).