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

C16H12N4O4S — CID 127027657

IUPAC6-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridazine-3-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)nn3)s2)cc1
InChIInChI=1S/C16H12N4O4S/c1-24-10-4-2-9(3-5-10)14(21)18-16-17-8-13(25-16)11-6-7-12(15(22)23)20-19-11/h2-8H,1H3,(H,22,23)(H,17,18,21)
InChIKeyGHFOPFSNXRAKEW-UHFFFAOYSA-N
MW356.36 g/mol
LogP2.56
Rot. Bonds5

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

6-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridazine-3-carboxylic acid (PubChem CID 127027657) has the molecular formula C16H12N4O4S and a molecular weight of 356.36 g/mol. Its IUPAC name is 6-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridazine-3-carboxylic acid
PubChem CID127027657
Molecular FormulaC16H12N4O4S
Molecular Weight356.36 g/mol
Exact Mass356.06
IUPAC Name6-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridazine-3-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)nn3)s2)cc1
InChIInChI=1S/C16H12N4O4S/c1-24-10-4-2-9(3-5-10)14(21)18-16-17-8-13(25-16)11-6-7-12(15(22)23)20-19-11/h2-8H,1H3,(H,22,23)(H,17,18,21)
InChIKeyGHFOPFSNXRAKEW-UHFFFAOYSA-N
XLogP2.56
TPSA114.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridazine-3-carboxylic acid (CID 127027657) is 6-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridazine-3-carboxylic acid is COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)nn3)s2)cc1.
What is the InChIKey of 6-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridazine-3-carboxylic acid?
The InChIKey is GHFOPFSNXRAKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O4S/c1-24-10-4-2-9(3-5-10)14(21)18-16-17-8-13(25-16)11-6-7-12(15(22)23)20-19-11/h2-8H,1H3,(H,22,23)(H,17,18,21).
What are the key properties of 6-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridazine-3-carboxylic acid?
6-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridazine-3-carboxylic acid has a molecular weight of 356.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]pyridazine-3-carboxylic acid is sourced from PubChem (CID 127027657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).