1-methyl-6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyridazine-3-carboxamide

C14H16N4O2S — CID 24611852

IUPAC1-methyl-6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2nc3c(s2)CCCCC3)ccc1=O
InChIInChI=1S/C14H16N4O2S/c1-18-12(19)8-7-10(17-18)13(20)16-14-15-9-5-3-2-4-6-11(9)21-14/h7-8H,2-6H2,1H3,(H,15,16,20)
InChIKeyCSMUDZXJFGGPDD-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.76
Rot. Bonds2

About 1-methyl-6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyridazine-3-carboxamide

1-methyl-6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyridazine-3-carboxamide (PubChem CID 24611852) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyridazine-3-carboxamide
PubChem CID24611852
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name1-methyl-6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2nc3c(s2)CCCCC3)ccc1=O
InChIInChI=1S/C14H16N4O2S/c1-18-12(19)8-7-10(17-18)13(20)16-14-15-9-5-3-2-4-6-11(9)21-14/h7-8H,2-6H2,1H3,(H,15,16,20)
InChIKeyCSMUDZXJFGGPDD-UHFFFAOYSA-N
XLogP1.76
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-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-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyridazine-3-carboxamide (CID 24611852) is 1-methyl-6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyridazine-3-carboxamide is Cn1nc(C(=O)Nc2nc3c(s2)CCCCC3)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyridazine-3-carboxamide?
The InChIKey is CSMUDZXJFGGPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-18-12(19)8-7-10(17-18)13(20)16-14-15-9-5-3-2-4-6-11(9)21-14/h7-8H,2-6H2,1H3,(H,15,16,20).
What are the key properties of 1-methyl-6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyridazine-3-carboxamide?
1-methyl-6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyridazine-3-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 24611852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).