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

C10H7F3N4O2S — CID 86980075

IUPAC1-methyl-6-oxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2nc(C(F)(F)F)cs2)ccc1=O
InChIInChI=1S/C10H7F3N4O2S/c1-17-7(18)3-2-5(16-17)8(19)15-9-14-6(4-20-9)10(11,12)13/h2-4H,1H3,(H,14,15,19)
InChIKeyUOVYMZOVSYEMFP-UHFFFAOYSA-N
MW304.25 g/mol
LogP1.51
Rot. Bonds2

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

1-methyl-6-oxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide (PubChem CID 86980075) has the molecular formula C10H7F3N4O2S and a molecular weight of 304.25 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide
PubChem CID86980075
Molecular FormulaC10H7F3N4O2S
Molecular Weight304.25 g/mol
Exact Mass304.02
IUPAC Name1-methyl-6-oxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2nc(C(F)(F)F)cs2)ccc1=O
InChIInChI=1S/C10H7F3N4O2S/c1-17-7(18)3-2-5(16-17)8(19)15-9-14-6(4-20-9)10(11,12)13/h2-4H,1H3,(H,14,15,19)
InChIKeyUOVYMZOVSYEMFP-UHFFFAOYSA-N
XLogP1.51
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methyl-6-oxopyridazin-1(6H)-yl)-N-(4-methylthiazol-2-yl)acetamide
CID 49704598
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
6-oxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyridazine-3-carboxamide
CID 43069892
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 55875549
N-[4-[[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 75388794
N-(4-methylthiazol-2-yl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 7585559
2-(3-methyl-6-oxopyridazin-1(6H)-yl)-N-(4-methylthiazol-2-yl)propanamide
CID 49704796
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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide (CID 86980075) is 1-methyl-6-oxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide is Cn1nc(C(=O)Nc2nc(C(F)(F)F)cs2)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide?
The InChIKey is UOVYMZOVSYEMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4O2S/c1-17-7(18)3-2-5(16-17)8(19)15-9-14-6(4-20-9)10(11,12)13/h2-4H,1H3,(H,14,15,19).
What are the key properties of 1-methyl-6-oxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide?
1-methyl-6-oxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide has a molecular weight of 304.25 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 86980075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).