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

C12H14N4O2S — CID 102554726

IUPACN-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NC(c2nccs2)C2CC2)=NN1
InChIInChI=1S/C12H14N4O2S/c17-9-4-3-8(15-16-9)11(18)14-10(7-1-2-7)12-13-5-6-19-12/h5-7,10H,1-4H2,(H,14,18)(H,16,17)
InChIKeyFQZIFKAQUSDFJZ-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.98
Rot. Bonds4

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

N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 102554726) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID102554726
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NC(c2nccs2)C2CC2)=NN1
InChIInChI=1S/C12H14N4O2S/c17-9-4-3-8(15-16-9)11(18)14-10(7-1-2-7)12-13-5-6-19-12/h5-7,10H,1-4H2,(H,14,18)(H,16,17)
InChIKeyFQZIFKAQUSDFJZ-UHFFFAOYSA-N
XLogP0.98
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 102554726) is N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)NC(c2nccs2)C2CC2)=NN1.
What is the InChIKey of N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is FQZIFKAQUSDFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c17-9-4-3-8(15-16-9)11(18)14-10(7-1-2-7)12-13-5-6-19-12/h5-7,10H,1-4H2,(H,14,18)(H,16,17).
What are the key properties of N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 102554726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).