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

C11H12N4O2S — CID 18084544

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCc1nc(NC(=O)c2ccc(=O)n(C)n2)sc1C
InChIInChI=1S/C11H12N4O2S/c1-6-7(2)18-11(12-6)13-10(17)8-4-5-9(16)15(3)14-8/h4-5H,1-3H3,(H,12,13,17)
InChIKeyOOBDWLWBQMEBQV-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.11
Rot. Bonds2

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 18084544) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID18084544
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCc1nc(NC(=O)c2ccc(=O)n(C)n2)sc1C
InChIInChI=1S/C11H12N4O2S/c1-6-7(2)18-11(12-6)13-10(17)8-4-5-9(16)15(3)14-8/h4-5H,1-3H3,(H,12,13,17)
InChIKeyOOBDWLWBQMEBQV-UHFFFAOYSA-N
XLogP1.11
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-(4-methylthiazol-2-yl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 2110480
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 24598783
6-oxo-1-propyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide
CID 43068601
1-methyl-6-oxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide
CID 86980075
N-(4-methylthiazol-2-yl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 7585559
1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide
CID 8894174
1-methyl-6-oxo-N-(4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-1,6-dihydropyridazine-3-carboxamide
CID 16389826
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 17394808
1-butyl-N-(4-methyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide
CID 18081125
N-(4-methylthiazol-2-yl)-6-oxo-1-propyl-1,6-dihydropyridazine-3-carboxamide
CID 18081300
N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 18081329
1-butyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxopyridazine-3-carboxamide
CID 18084560

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide (CID 18084544) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide is Cc1nc(NC(=O)c2ccc(=O)n(C)n2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is OOBDWLWBQMEBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-6-7(2)18-11(12-6)13-10(17)8-4-5-9(16)15(3)14-8/h4-5H,1-3H3,(H,12,13,17).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 264.31 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 18084544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).