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

C11H14N4O2S — CID 108737152

IUPACN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCc1nc(C(C)NC(=O)C2=NNC(=O)CC2)cs1
InChIInChI=1S/C11H14N4O2S/c1-6(9-5-18-7(2)13-9)12-11(17)8-3-4-10(16)15-14-8/h5-6H,3-4H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyHVUCMFZJUOLAPW-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.89
Rot. Bonds3

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

N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 108737152) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID108737152
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCc1nc(C(C)NC(=O)C2=NNC(=O)CC2)cs1
InChIInChI=1S/C11H14N4O2S/c1-6(9-5-18-7(2)13-9)12-11(17)8-3-4-10(16)15-14-8/h5-6H,3-4H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyHVUCMFZJUOLAPW-UHFFFAOYSA-N
XLogP0.89
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60979295
4-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 108760051
(2S,3R)-3-hydroxy-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoic acid
CID 104964357
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide
CID 136524359
2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 108737213
2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]prop-2-enamide
CID 108737160
(2R)-2-amino-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide;hydrochloride
CID 130620258
N-[4-(dimethylamino)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 54968046
2-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 108809636
2-amino-N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 99992429
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 8780732
6-oxo-N-[(1S)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 94183034

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 108737152) is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is Cc1nc(C(C)NC(=O)C2=NNC(=O)CC2)cs1.
What is the InChIKey of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is HVUCMFZJUOLAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-6(9-5-18-7(2)13-9)12-11(17)8-3-4-10(16)15-14-8/h5-6H,3-4H2,1-2H3,(H,12,17)(H,15,16).
What are the key properties of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 266.33 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 108737152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).