N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide

C21H19ClN6OS — CID 71795657

IUPACN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCc3sc(-c4ccccc4Cl)nc3C)nn2)n1
InChIInChI=1S/C21H19ClN6OS/c1-12-10-13(2)28(27-12)19-9-8-17(25-26-19)20(29)23-11-18-14(3)24-21(30-18)15-6-4-5-7-16(15)22/h4-10H,11H2,1-3H3,(H,23,29)
InChIKeyFHPXLLXCYIKQJV-UHFFFAOYSA-N
MW438.94 g/mol
LogP4.29
Rot. Bonds5

About N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide

N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide (PubChem CID 71795657) has the molecular formula C21H19ClN6OS and a molecular weight of 438.94 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide
PubChem CID71795657
Molecular FormulaC21H19ClN6OS
Molecular Weight438.94 g/mol
Exact Mass438.10
IUPAC NameN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCc3sc(-c4ccccc4Cl)nc3C)nn2)n1
InChIInChI=1S/C21H19ClN6OS/c1-12-10-13(2)28(27-12)19-9-8-17(25-26-19)20(29)23-11-18-14(3)24-21(30-18)15-6-4-5-7-16(15)22/h4-10H,11H2,1-3H3,(H,23,29)
InChIKeyFHPXLLXCYIKQJV-UHFFFAOYSA-N
XLogP4.29
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide (CID 71795657) is N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide is Cc1cc(C)n(-c2ccc(C(=O)NCc3sc(-c4ccccc4Cl)nc3C)nn2)n1.
What is the InChIKey of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide?
The InChIKey is FHPXLLXCYIKQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6OS/c1-12-10-13(2)28(27-12)19-9-8-17(25-26-19)20(29)23-11-18-14(3)24-21(30-18)15-6-4-5-7-16(15)22/h4-10H,11H2,1-3H3,(H,23,29).
What are the key properties of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide?
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide has a molecular weight of 438.94 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 71795657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).