6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylic acid

C13H11N5O2S2 — CID 144814933

IUPAC6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylic acid
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C(=O)O)nn3)n2)s1
InChIInChI=1S/C13H11N5O2S2/c1-6-11(22-7(2)14-6)9-5-21-13(15-9)16-10-4-3-8(12(19)20)17-18-10/h3-5H,1-2H3,(H,19,20)(H,15,16,18)
InChIKeyNQKWZAGHQJMBBV-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.12
Rot. Bonds4

About 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylic acid

6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylic acid (PubChem CID 144814933) has the molecular formula C13H11N5O2S2 and a molecular weight of 333.40 g/mol. Its IUPAC name is 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylic acid
PubChem CID144814933
Molecular FormulaC13H11N5O2S2
Molecular Weight333.40 g/mol
Exact Mass333.04
IUPAC Name6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylic acid
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C(=O)O)nn3)n2)s1
InChIInChI=1S/C13H11N5O2S2/c1-6-11(22-7(2)14-6)9-5-21-13(15-9)16-10-4-3-8(12(19)20)17-18-10/h3-5H,1-2H3,(H,19,20)(H,15,16,18)
InChIKeyNQKWZAGHQJMBBV-UHFFFAOYSA-N
XLogP3.12
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylic acid with MolForge

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Related Compounds

6-[2-(2-Ethyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167896127
6-[[6-(Thiophen-2-ylsulfanylamino)-1,3-benzothiazol-2-yl]amino]pyridazine-3-carboxylic acid
CID 176578701
Methyl 6-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazine-3-carboxylate
CID 54893549
6-N-[4,5-Dimethyl-thiazol-2-yl]-aminopyridazine 3-Carboxylic Acid
CID 54950646
6-[(4-Ethyl-5-methyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid
CID 54953806
6-[(4-Cyclopropyl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid
CID 54959034
6-[(4-Propan-2-yl-1,3-thiazol-2-yl)amino]pyridazine-3-carboxylic acid
CID 54959085
6-[(2-Methyl-1,3-thiazol-5-yl)methylamino]pyridazine-3-carboxylic acid
CID 54962806
6-[(2-Methyl-1,3-thiazol-4-yl)methylamino]pyridazine-3-carboxylic acid
CID 54962913
6-[(4-Methyl-1,3-thiazol-2-yl)methylamino]pyridazine-3-carboxylic acid
CID 54963011
6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridazine-3-carboxylic acid
CID 54963902
6-[Methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-3-carboxylic acid
CID 55012365

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylic acid (CID 144814933) is 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylic acid is Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)O)nn3)n2)s1.
What is the InChIKey of 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylic acid?
The InChIKey is NQKWZAGHQJMBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S2/c1-6-11(22-7(2)14-6)9-5-21-13(15-9)16-10-4-3-8(12(19)20)17-18-10/h3-5H,1-2H3,(H,19,20)(H,15,16,18).
What are the key properties of 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylic acid?
6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylic acid has a molecular weight of 333.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 144814933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).