1-methyl-6-oxo-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyridazine-3-carboxamide

C17H13N5O2S — CID 31009982

IUPAC1-methyl-6-oxo-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2c(-c3ccccc3)nc3sccn23)ccc1=O
InChIInChI=1S/C17H13N5O2S/c1-21-13(23)8-7-12(20-21)16(24)19-15-14(11-5-3-2-4-6-11)18-17-22(15)9-10-25-17/h2-10H,1H3,(H,19,24)
InChIKeyNXZDPPSOYXBYIJ-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.41
Rot. Bonds3

About 1-methyl-6-oxo-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyridazine-3-carboxamide

1-methyl-6-oxo-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyridazine-3-carboxamide (PubChem CID 31009982) has the molecular formula C17H13N5O2S and a molecular weight of 351.39 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyridazine-3-carboxamide
PubChem CID31009982
Molecular FormulaC17H13N5O2S
Molecular Weight351.39 g/mol
Exact Mass351.08
IUPAC Name1-methyl-6-oxo-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2c(-c3ccccc3)nc3sccn23)ccc1=O
InChIInChI=1S/C17H13N5O2S/c1-21-13(23)8-7-12(20-21)16(24)19-15-14(11-5-3-2-4-6-11)18-17-22(15)9-10-25-17/h2-10H,1H3,(H,19,24)
InChIKeyNXZDPPSOYXBYIJ-UHFFFAOYSA-N
XLogP2.41
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-6-oxo-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyridazine-3-carboxamide (CID 31009982) is 1-methyl-6-oxo-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyridazine-3-carboxamide is Cn1nc(C(=O)Nc2c(-c3ccccc3)nc3sccn23)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyridazine-3-carboxamide?
The InChIKey is NXZDPPSOYXBYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2S/c1-21-13(23)8-7-12(20-21)16(24)19-15-14(11-5-3-2-4-6-11)18-17-22(15)9-10-25-17/h2-10H,1H3,(H,19,24).
What are the key properties of 1-methyl-6-oxo-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyridazine-3-carboxamide?
1-methyl-6-oxo-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyridazine-3-carboxamide has a molecular weight of 351.39 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 31009982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).