N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyridazin-7-amine

C18H18F3N5S — CID 174266279

IUPACN-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyridazin-7-amine
SMILESCN1CCC[C@@H](Nc2nnc(-c3ccc(C(F)(F)F)cc3)c3cnsc23)C1
InChIInChI=1S/C18H18F3N5S/c1-26-8-2-3-13(10-26)23-17-16-14(9-22-27-16)15(24-25-17)11-4-6-12(7-5-11)18(19,20)21/h4-7,9,13H,2-3,8,10H2,1H3,(H,23,25)/t13-/m1/s1
InChIKeyOVJYCSKCSPZEQT-CYBMUJFWSA-N
MW393.44 g/mol
LogP4.28
Rot. Bonds3

About N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyridazin-7-amine

N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyridazin-7-amine (PubChem CID 174266279) has the molecular formula C18H18F3N5S and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyridazin-7-amine.

Molecular Properties

Compound NameN-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyridazin-7-amine
PubChem CID174266279
Molecular FormulaC18H18F3N5S
Molecular Weight393.44 g/mol
Exact Mass393.12
IUPAC NameN-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyridazin-7-amine
SMILESCN1CCC[C@@H](Nc2nnc(-c3ccc(C(F)(F)F)cc3)c3cnsc23)C1
InChIInChI=1S/C18H18F3N5S/c1-26-8-2-3-13(10-26)23-17-16-14(9-22-27-16)15(24-25-17)11-4-6-12(7-5-11)18(19,20)21/h4-7,9,13H,2-3,8,10H2,1H3,(H,23,25)/t13-/m1/s1
InChIKeyOVJYCSKCSPZEQT-CYBMUJFWSA-N
XLogP4.28
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyridazin-7-amine
CID 174266249
N-[(3R)-1-methylpiperidin-3-yl]-7-[4-(trifluoromethyl)phenyl]-[1,3]dioxolo[4,5-d]pyridazin-4-amine
CID 174266260
2-[7-[(1-methylpiperidin-3-yl)amino]thieno[2,3-d]pyridazin-4-yl]-5-(trifluoromethyl)phenol
CID 166460017
N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]phthalazin-1-amine
CID 170553920
N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-8-amine
CID 170553902
7-[(3R)-1-methylpiperidin-3-yl]oxy-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine
CID 174266465
N-(1-cyclobutylpiperidin-3-yl)-4-[4-(trifluoromethyl)phenyl]phthalazin-1-amine
CID 175504874
2-[4-[[(3S)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]-5-(trifluoromethyl)phenol
CID 171852579
2-[1-[[(3R)-1-methylpiperidin-3-yl]amino]pyrido[3,4-d]pyridazin-4-yl]-5-(trifluoromethyl)phenol
CID 166518693
2-[4-[(1-methylpiperidin-3-yl)amino]furo[2,3-d]pyridazin-7-yl]-5-(trifluoromethyl)phenol
CID 170157149
2-[1-methyl-7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrrolo[2,3-d]pyridazin-4-yl]-5-(trifluoromethyl)phenol
CID 170260018
4-[2-(difluoromethoxy)-4-(trifluoromethyl)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]pyrido[3,4-d]pyridazin-1-amine
CID 171852287

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyridazin-7-amine?
The IUPAC name of N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyridazin-7-amine (CID 174266279) is N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyridazin-7-amine.
What is the SMILES notation for N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyridazin-7-amine?
The canonical SMILES for N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyridazin-7-amine is CN1CCC[C@@H](Nc2nnc(-c3ccc(C(F)(F)F)cc3)c3cnsc23)C1.
What is the InChIKey of N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyridazin-7-amine?
The InChIKey is OVJYCSKCSPZEQT-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18F3N5S/c1-26-8-2-3-13(10-26)23-17-16-14(9-22-27-16)15(24-25-17)11-4-6-12(7-5-11)18(19,20)21/h4-7,9,13H,2-3,8,10H2,1H3,(H,23,25)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyridazin-7-amine?
N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyridazin-7-amine has a molecular weight of 393.44 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyridazin-7-amine is sourced from PubChem (CID 174266279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).