N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide

C13H16N4O2S — CID 125165596

IUPACN-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCc1nc([C@@H](C)NC(=O)c2ccc(=O)n(C)n2)c(C)s1
InChIInChI=1S/C13H16N4O2S/c1-7(12-8(2)20-9(3)15-12)14-13(19)10-5-6-11(18)17(4)16-10/h5-7H,1-4H3,(H,14,19)/t7-/m1/s1
InChIKeyHFKKMALKQOJXTP-SSDOTTSWSA-N
MW292.36 g/mol
LogP1.34
Rot. Bonds3

About N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 125165596) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID125165596
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCc1nc([C@@H](C)NC(=O)c2ccc(=O)n(C)n2)c(C)s1
InChIInChI=1S/C13H16N4O2S/c1-7(12-8(2)20-9(3)15-12)14-13(19)10-5-6-11(18)17(4)16-10/h5-7H,1-4H3,(H,14,19)/t7-/m1/s1
InChIKeyHFKKMALKQOJXTP-SSDOTTSWSA-N
XLogP1.34
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide with MolForge

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Related Compounds

N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 42443185
N-[1-(2-fluorophenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 17429467
N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 81041108
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51150886
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 95897931
4-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
CID 43091764
N-(3-hydroxy-2-methylbutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 115884570
tert-butyl (2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoate
CID 81003471
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 91784680
1-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-oxopyridazine-3-carboxamide
CID 26907068
2-(4,5-dimethylimidazol-1-yl)-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 125166958
1-methyl-N-[1-(4-methylphenyl)propyl]-6-oxopyridazine-3-carboxamide
CID 78777843

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 125165596) is N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cc1nc([C@@H](C)NC(=O)c2ccc(=O)n(C)n2)c(C)s1.
What is the InChIKey of N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is HFKKMALKQOJXTP-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-7(12-8(2)20-9(3)15-12)14-13(19)10-5-6-11(18)17(4)16-10/h5-7H,1-4H3,(H,14,19)/t7-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 125165596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).