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

C10H12N4O2S — CID 60979295

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCc1nc(CNC(=O)C2=NNC(=O)CC2)cs1
InChIInChI=1S/C10H12N4O2S/c1-6-12-7(5-17-6)4-11-10(16)8-2-3-9(15)14-13-8/h5H,2-4H2,1H3,(H,11,16)(H,14,15)
InChIKeyBAAUEHXIXQKLJN-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.33
Rot. Bonds3

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 60979295) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID60979295
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCc1nc(CNC(=O)C2=NNC(=O)CC2)cs1
InChIInChI=1S/C10H12N4O2S/c1-6-12-7(5-17-6)4-11-10(16)8-2-3-9(15)14-13-8/h5H,2-4H2,1H3,(H,11,16)(H,14,15)
InChIKeyBAAUEHXIXQKLJN-UHFFFAOYSA-N
XLogP0.33
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 63680112
3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64524858
N-[(1-methylimidazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 63236221
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 113257333
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 108760194
N-[(5-chloro-2-methoxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793485
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-6-carboxamide
CID 47290936
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 107435967
6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47230453
6-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 66462162
5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47044611
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110742749

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 60979295) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is Cc1nc(CNC(=O)C2=NNC(=O)CC2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is BAAUEHXIXQKLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-6-12-7(5-17-6)4-11-10(16)8-2-3-9(15)14-13-8/h5H,2-4H2,1H3,(H,11,16)(H,14,15).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 252.30 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 60979295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).