lithium [1,3]thiazolo[4,5-d]pyridazine-2-carboxylate

C6H2LiN3O2S — CID 172747633

IUPAClithium [1,3]thiazolo[4,5-d]pyridazine-2-carboxylate
SMILESO=C([O-])c1nc2cnncc2s1.[Li+]
InChIInChI=1S/C6H3N3O2S.Li/c10-6(11)5-9-3-1-7-8-2-4(3)12-5;/h1-2H,(H,10,11);/q;+1/p-1
InChIKeyJYCGNIMKKFEHQV-UHFFFAOYSA-M
MW187.11 g/mol
LogP-3.55
Rot. Bonds1

About lithium [1,3]thiazolo[4,5-d]pyridazine-2-carboxylate

lithium [1,3]thiazolo[4,5-d]pyridazine-2-carboxylate (PubChem CID 172747633) has the molecular formula C6H2LiN3O2S and a molecular weight of 187.11 g/mol. Its IUPAC name is lithium [1,3]thiazolo[4,5-d]pyridazine-2-carboxylate.

Molecular Properties

Compound Namelithium [1,3]thiazolo[4,5-d]pyridazine-2-carboxylate
PubChem CID172747633
Molecular FormulaC6H2LiN3O2S
Molecular Weight187.11 g/mol
Exact Mass187.00
IUPAC Namelithium [1,3]thiazolo[4,5-d]pyridazine-2-carboxylate
SMILESO=C([O-])c1nc2cnncc2s1.[Li+]
InChIInChI=1S/C6H3N3O2S.Li/c10-6(11)5-9-3-1-7-8-2-4(3)12-5;/h1-2H,(H,10,11);/q;+1/p-1
InChIKeyJYCGNIMKKFEHQV-UHFFFAOYSA-M
XLogP-3.55
TPSA78.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.11
LogP ≤ 5-3.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1,3]thiazolo[4,5-d]pyridazin-2-amine
CID 123263613
sodium 6-nitro-1,3-benzothiazole-2-carboxylate
CID 141165139
sodium 6-methoxy-1,3-benzothiazole-2-carboxylate
CID 23680135
[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 141094419
methyl [1,3]thiazolo[5,4-c]pyridine-2-carboxylate
CID 83387319
tert-butyl [1,3]thiazolo[4,5-c]pyridine-2-carboxylate
CID 133059343
1-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethanone
CID 166523777
6-(4-phenylphenyl)-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid
CID 155391820
lithium 4-thia-1,6,9-triazatricyclo[7.3.0.03,7]dodeca-3(7),5-diene-5-carboxylate
CID 23688406
1,3-benzothiazole-2-carbonyl(methanidyl)azanium
CID 59280493
5-methylpyrrolo[3,4-d][1,3]thiazole-2-carboxamide
CID 141094481
sulfanyl 1,3-benzothiazole-2-carboxylate
CID 87987373

Frequently Asked Questions

What is the IUPAC name of lithium [1,3]thiazolo[4,5-d]pyridazine-2-carboxylate?
The IUPAC name of lithium [1,3]thiazolo[4,5-d]pyridazine-2-carboxylate (CID 172747633) is lithium [1,3]thiazolo[4,5-d]pyridazine-2-carboxylate.
What is the SMILES notation for lithium [1,3]thiazolo[4,5-d]pyridazine-2-carboxylate?
The canonical SMILES for lithium [1,3]thiazolo[4,5-d]pyridazine-2-carboxylate is O=C([O-])c1nc2cnncc2s1.[Li+].
What is the InChIKey of lithium [1,3]thiazolo[4,5-d]pyridazine-2-carboxylate?
The InChIKey is JYCGNIMKKFEHQV-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H3N3O2S.Li/c10-6(11)5-9-3-1-7-8-2-4(3)12-5;/h1-2H,(H,10,11);/q;+1/p-1.
What are the key properties of lithium [1,3]thiazolo[4,5-d]pyridazine-2-carboxylate?
lithium [1,3]thiazolo[4,5-d]pyridazine-2-carboxylate has a molecular weight of 187.11 g/mol, XLogP of -3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [1,3]thiazolo[4,5-d]pyridazine-2-carboxylate is sourced from PubChem (CID 172747633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).