2-[3-(2-chloro-1,3-thiazol-4-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide

C17H12ClF3N4O2S — CID 134481227

IUPAC2-[3-(2-chloro-1,3-thiazol-4-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(C(F)(F)F)cc1)n1nc(-c2csc(Cl)n2)ccc1=O
InChIInChI=1S/C17H12ClF3N4O2S/c1-9(15(27)22-11-4-2-10(3-5-11)17(19,20)21)25-14(26)7-6-12(24-25)13-8-28-16(18)23-13/h2-9H,1H3,(H,22,27)
InChIKeyFGHPINHNNHJOJE-UHFFFAOYSA-N
MW428.82 g/mol
LogP4.24
Rot. Bonds4

About 2-[3-(2-chloro-1,3-thiazol-4-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide

2-[3-(2-chloro-1,3-thiazol-4-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 134481227) has the molecular formula C17H12ClF3N4O2S and a molecular weight of 428.82 g/mol. Its IUPAC name is 2-[3-(2-chloro-1,3-thiazol-4-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[3-(2-chloro-1,3-thiazol-4-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID134481227
Molecular FormulaC17H12ClF3N4O2S
Molecular Weight428.82 g/mol
Exact Mass428.03
IUPAC Name2-[3-(2-chloro-1,3-thiazol-4-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(C(F)(F)F)cc1)n1nc(-c2csc(Cl)n2)ccc1=O
InChIInChI=1S/C17H12ClF3N4O2S/c1-9(15(27)22-11-4-2-10(3-5-11)17(19,20)21)25-14(26)7-6-12(24-25)13-8-28-16(18)23-13/h2-9H,1H3,(H,22,27)
InChIKeyFGHPINHNNHJOJE-UHFFFAOYSA-N
XLogP4.24
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.82
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1,1-difluoroethyl)phenyl]-2-[6-oxo-3-[4-(trifluoromethyl)phenyl]pyridazin-1-yl]propanamide
CID 159216015
2-[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 134475470
N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide
CID 121075835
2-[3-(4-cyclopropylphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide;ethane;molecular hydrogen;2-[6-oxo-3-[2-(trifluoromethyl)phenyl]pyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 142338860
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 127043901
(2S)-N-(4-acetylphenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 39854340
N-[2-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanoylamino]ethyl]-4-(propanoylamino)benzamide
CID 121101308
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 4912205
2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 51108589
(2S)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685798
(2R)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685800
2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 90517531

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chloro-1,3-thiazol-4-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-[3-(2-chloro-1,3-thiazol-4-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide (CID 134481227) is 2-[3-(2-chloro-1,3-thiazol-4-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-[3-(2-chloro-1,3-thiazol-4-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-[3-(2-chloro-1,3-thiazol-4-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide is CC(C(=O)Nc1ccc(C(F)(F)F)cc1)n1nc(-c2csc(Cl)n2)ccc1=O.
What is the InChIKey of 2-[3-(2-chloro-1,3-thiazol-4-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is FGHPINHNNHJOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N4O2S/c1-9(15(27)22-11-4-2-10(3-5-11)17(19,20)21)25-14(26)7-6-12(24-25)13-8-28-16(18)23-13/h2-9H,1H3,(H,22,27).
What are the key properties of 2-[3-(2-chloro-1,3-thiazol-4-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
2-[3-(2-chloro-1,3-thiazol-4-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 428.82 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chloro-1,3-thiazol-4-yl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 134481227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).