N-[(5-chlorothiophen-2-yl)methyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide

C16H15ClF3N3O2S — CID 55874278

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O
InChIInChI=1S/C16H15ClF3N3O2S/c1-22(7-10-4-5-13(17)26-10)14(24)8-23-15(25)11(16(18,19)20)6-12(21-23)9-2-3-9/h4-6,9H,2-3,7-8H2,1H3
InChIKeyJAHQPPJMRUUDNY-UHFFFAOYSA-N
MW405.83 g/mol
LogP3.51
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide

N-[(5-chlorothiophen-2-yl)methyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide (PubChem CID 55874278) has the molecular formula C16H15ClF3N3O2S and a molecular weight of 405.83 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide
PubChem CID55874278
Molecular FormulaC16H15ClF3N3O2S
Molecular Weight405.83 g/mol
Exact Mass405.05
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O
InChIInChI=1S/C16H15ClF3N3O2S/c1-22(7-10-4-5-13(17)26-10)14(24)8-23-15(25)11(16(18,19)20)6-12(21-23)9-2-3-9/h4-6,9H,2-3,7-8H2,1H3
InChIKeyJAHQPPJMRUUDNY-UHFFFAOYSA-N
XLogP3.51
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.83
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-methylacetamide
CID 79410702
N-[(5-chlorothiophen-2-yl)methyl]-2-(3-hydroxypyrrolidin-1-yl)-N-methylacetamide
CID 62918194
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 17446112
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide
CID 78792569
6-cyclopropyl-2-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one
CID 55874406
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetamide
CID 51132746
2-(3-amino-4-methylpyrrolidin-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 103577273
N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62491611
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 38135958
2-[(3-chloro-1-benzothiophen-2-yl)methyl]-6-cyclopropyl-4-(trifluoromethyl)pyridazin-3-one
CID 55876066
N-[(5-chlorothiophen-2-yl)methyl]-2,2,3,3,3-pentafluoro-N-methylpropanamide
CID 114038099
N-[(5-chlorothiophen-2-yl)methyl]-2-(2,3-dihydroindol-1-yl)-N-methylacetamide
CID 112799700

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide (CID 55874278) is N-[(5-chlorothiophen-2-yl)methyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide is CN(Cc1ccc(Cl)s1)C(=O)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide?
The InChIKey is JAHQPPJMRUUDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O2S/c1-22(7-10-4-5-13(17)26-10)14(24)8-23-15(25)11(16(18,19)20)6-12(21-23)9-2-3-9/h4-6,9H,2-3,7-8H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide has a molecular weight of 405.83 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 55874278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).