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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Related Compounds

(5S)-5-methoxycarbonyl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carboxylic acid
CID 175990481
8-[(2-methylpropan-2-yl)oxycarbonyl]-2-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 170758016
(5S)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(1S)-2-(methylamino)-2-oxo-1-(1-phenylmethoxycyclopropyl)ethyl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide
CID 164604678
1-[(2R)-2-phenyl-4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 125020144
[5-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-[5-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone
CID 170756005
(4-pyridin-2-ylpiperidin-1-yl)-(1,3-thiazol-5-yl)methanone
CID 95828576
2-[1-(cycloheptylmethyl)-4-[(5S)-2-[(1R)-2-iodo-2-methylcyclopropanecarbonyl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carbonyl]piperazin-2-yl]acetic acid
CID 170758906
[(1R)-2,2-difluorocyclopropyl]-[5-(5-phenoxy-1,3-benzoxazol-2-yl)-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]methanone
CID 170756673
[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-thiazol-5-yl)methanone
CID 110159393
(5S)-N-[(3S,4R)-2-hydroxy-2-methyl-4-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)pentan-3-yl]-2-(1,3-oxazol-2-yl)-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide
CID 170755458
N-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]benzamide
CID 166192357
[(5S)-5-[(3,4-dichlorophenyl)methoxymethyl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]-[(1S)-2,2-dimethylcyclopropyl]methanone
CID 174313477

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).