2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

C21H21N5O2S — CID 56560899

IUPAC2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCCc1nn(CC(=O)Nc2cccc(-c3csc(C)n3)c2)c(=O)c(C#N)c1CC
InChIInChI=1S/C21H21N5O2S/c1-4-16-17(10-22)21(28)26(25-18(16)5-2)11-20(27)24-15-8-6-7-14(9-15)19-12-29-13(3)23-19/h6-9,12H,4-5,11H2,1-3H3,(H,24,27)
InChIKeyVRMZSXPAXPNHFR-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.31
Rot. Bonds6

About 2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 56560899) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is 2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID56560899
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC Name2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCCc1nn(CC(=O)Nc2cccc(-c3csc(C)n3)c2)c(=O)c(C#N)c1CC
InChIInChI=1S/C21H21N5O2S/c1-4-16-17(10-22)21(28)26(25-18(16)5-2)11-20(27)24-15-8-6-7-14(9-15)19-12-29-13(3)23-19/h6-9,12H,4-5,11H2,1-3H3,(H,24,27)
InChIKeyVRMZSXPAXPNHFR-UHFFFAOYSA-N
XLogP3.31
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 8852721
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 56560968
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 27040368
2-(2-cyanophenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 30859534
5-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 107908820
3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 54924319
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 8850331
2-(3-methylpiperidin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 46807539
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 111427212
2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 55359336
2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 852161

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (CID 56560899) is 2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is CCc1nn(CC(=O)Nc2cccc(-c3csc(C)n3)c2)c(=O)c(C#N)c1CC.
What is the InChIKey of 2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is VRMZSXPAXPNHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-4-16-17(10-22)21(28)26(25-18(16)5-2)11-20(27)24-15-8-6-7-14(9-15)19-12-29-13(3)23-19/h6-9,12H,4-5,11H2,1-3H3,(H,24,27).
What are the key properties of 2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 407.50 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 56560899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).