N-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C9H12N4O2S — CID 47124778

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NC2=NCCS2)CCC1=O
InChIInChI=1S/C9H12N4O2S/c1-13-7(14)3-2-6(12-13)8(15)11-9-10-4-5-16-9/h2-5H2,1H3,(H,10,11,15)
InChIKeyQYKMHWJNHQSQKN-UHFFFAOYSA-N
MW240.29 g/mol
LogP-0.19
Rot. Bonds1

About N-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 47124778) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID47124778
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NC2=NCCS2)CCC1=O
InChIInChI=1S/C9H12N4O2S/c1-13-7(14)3-2-6(12-13)8(15)11-9-10-4-5-16-9/h2-5H2,1H3,(H,10,11,15)
InChIKeyQYKMHWJNHQSQKN-UHFFFAOYSA-N
XLogP-0.19
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 47124778) is N-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)NC2=NCCS2)CCC1=O.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is QYKMHWJNHQSQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c1-13-7(14)3-2-6(12-13)8(15)11-9-10-4-5-16-9/h2-5H2,1H3,(H,10,11,15).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 240.29 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 47124778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).