1-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C18H20N4O2S — CID 24552976

IUPAC1-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1nc(-c2ccc(CCNC(=O)C3=NN(C)C(=O)CC3)cc2)cs1
InChIInChI=1S/C18H20N4O2S/c1-12-20-16(11-25-12)14-5-3-13(4-6-14)9-10-19-18(24)15-7-8-17(23)22(2)21-15/h3-6,11H,7-10H2,1-2H3,(H,19,24)
InChIKeyILDXQRIRGAKNTP-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.39
Rot. Bonds5

About 1-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 24552976) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID24552976
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name1-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1nc(-c2ccc(CCNC(=O)C3=NN(C)C(=O)CC3)cc2)cs1
InChIInChI=1S/C18H20N4O2S/c1-12-20-16(11-25-12)14-5-3-13(4-6-14)9-10-19-18(24)15-7-8-17(23)22(2)21-15/h3-6,11H,7-10H2,1-2H3,(H,19,24)
InChIKeyILDXQRIRGAKNTP-UHFFFAOYSA-N
XLogP2.39
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 46632756
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568214
1-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]imidazole-4-carboxamide
CID 122156292
4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568166
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride
CID 52984164
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869918
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 47121427
4-methoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 55434098
1-methyl-6-oxo-N-propyl-4,5-dihydropyridazine-3-carboxamide
CID 47014189
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 24552868
1-methyl-6-oxo-N-(2-thiophen-2-ylethyl)-4,5-dihydropyridazine-3-carboxamide
CID 24628335
2-(2-methoxyethoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 108725440

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 24552976) is 1-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1nc(-c2ccc(CCNC(=O)C3=NN(C)C(=O)CC3)cc2)cs1.
What is the InChIKey of 1-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is ILDXQRIRGAKNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-12-20-16(11-25-12)14-5-3-13(4-6-14)9-10-19-18(24)15-7-8-17(23)22(2)21-15/h3-6,11H,7-10H2,1-2H3,(H,19,24).
What are the key properties of 1-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 24552976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).