2,4-dimethyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1,3-thiazole-5-carboxamide

C17H16N4O2S — CID 71805033

IUPAC2,4-dimethyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccccc2-c2ccc(=O)n(C)n2)s1
InChIInChI=1S/C17H16N4O2S/c1-10-16(24-11(2)18-10)17(23)19-13-7-5-4-6-12(13)14-8-9-15(22)21(3)20-14/h4-9H,1-3H3,(H,19,23)
InChIKeyYUKPMNUEFFWQGQ-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.77
Rot. Bonds3

About 2,4-dimethyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 71805033) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID71805033
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name2,4-dimethyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccccc2-c2ccc(=O)n(C)n2)s1
InChIInChI=1S/C17H16N4O2S/c1-10-16(24-11(2)18-10)17(23)19-13-7-5-4-6-12(13)14-8-9-15(22)21(3)20-14/h4-9H,1-3H3,(H,19,23)
InChIKeyYUKPMNUEFFWQGQ-UHFFFAOYSA-N
XLogP2.77
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1,3-thiazole-5-carboxamide (CID 71805033) is 2,4-dimethyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccccc2-c2ccc(=O)n(C)n2)s1.
What is the InChIKey of 2,4-dimethyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is YUKPMNUEFFWQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-10-16(24-11(2)18-10)17(23)19-13-7-5-4-6-12(13)14-8-9-15(22)21(3)20-14/h4-9H,1-3H3,(H,19,23).
What are the key properties of 2,4-dimethyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71805033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).