N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide

C11H12N4O2S — CID 47214956

IUPACN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCc1nc(NC(=O)c2ccc(=O)[nH]n2)sc1C
InChIInChI=1S/C11H12N4O2S/c1-3-7-6(2)18-11(12-7)13-10(17)8-4-5-9(16)15-14-8/h4-5H,3H2,1-2H3,(H,15,16)(H,12,13,17)
InChIKeyBTJJKPALVFVPGW-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.35
Rot. Bonds3

About N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 47214956) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID47214956
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCc1nc(NC(=O)c2ccc(=O)[nH]n2)sc1C
InChIInChI=1S/C11H12N4O2S/c1-3-7-6(2)18-11(12-7)13-10(17)8-4-5-9(16)15-14-8/h4-5H,3H2,1-2H3,(H,15,16)(H,12,13,17)
InChIKeyBTJJKPALVFVPGW-UHFFFAOYSA-N
XLogP1.35
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide (CID 47214956) is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide is CCc1nc(NC(=O)c2ccc(=O)[nH]n2)sc1C.
What is the InChIKey of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is BTJJKPALVFVPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-3-7-6(2)18-11(12-7)13-10(17)8-4-5-9(16)15-14-8/h4-5H,3H2,1-2H3,(H,15,16)(H,12,13,17).
What are the key properties of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 264.31 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 47214956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).