N,N-dimethyl-5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazol-3-amine

C19H20F3N7S — CID 19608312

IUPACN,N-dimethyl-5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazol-3-amine
SMILESCN(C)c1nsc(-c2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nn2)n1
InChIInChI=1S/C19H20F3N7S/c1-27(2)18-23-17(30-26-18)15-6-7-16(25-24-15)29-10-8-28(9-11-29)14-5-3-4-13(12-14)19(20,21)22/h3-7,12H,8-11H2,1-2H3
InChIKeyCYPDGFVVZVUJNE-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.41
Rot. Bonds4

About N,N-dimethyl-5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazol-3-amine

N,N-dimethyl-5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazol-3-amine (PubChem CID 19608312) has the molecular formula C19H20F3N7S and a molecular weight of 435.48 g/mol. Its IUPAC name is N,N-dimethyl-5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazol-3-amine
PubChem CID19608312
Molecular FormulaC19H20F3N7S
Molecular Weight435.48 g/mol
Exact Mass435.15
IUPAC NameN,N-dimethyl-5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazol-3-amine
SMILESCN(C)c1nsc(-c2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nn2)n1
InChIInChI=1S/C19H20F3N7S/c1-27(2)18-23-17(30-26-18)15-6-7-16(25-24-15)29-10-8-28(9-11-29)14-5-3-4-13(12-14)19(20,21)22/h3-7,12H,8-11H2,1-2H3
InChIKeyCYPDGFVVZVUJNE-UHFFFAOYSA-N
XLogP3.41
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[6-(1,2,4-thiadiazol-5-yl)pyridazin-3-yl]-N-[3-(trifluoromethyl)phenyl]piperidin-4-amine
CID 9887599
3-(3-Methyl-1,2,4-thiadiazole-5-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperazino]pyridazine
CID 11811590
N,N-dimethyl-5-[6-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazol-3-amine
CID 44269584
5-[6-[4-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole
CID 44269588
5-[6-[4-[3,5-Bis(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole
CID 44269608
5-[6-[4-[3,5-Bis(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-3-methyl-1,2,4-thiadiazole
CID 44269624
3-Methyl-5-[6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazole
CID 44269639
N,N-dimethyl-5-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]-1,2,4-thiadiazol-3-amine
CID 44370149
1-{3-Methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 5308225
2-[4-[3-(Trifluoromethyl)phenyl]piperazino]-5-(3-methyl-1,2,4-thiadiazole-5-yl)pyridine
CID 9801397
1-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)phenyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 9931066
3-(1,2,4-Thiadiazole-5-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperazino]pyridazine
CID 19608307

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazol-3-amine?
The IUPAC name of N,N-dimethyl-5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazol-3-amine (CID 19608312) is N,N-dimethyl-5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for N,N-dimethyl-5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazol-3-amine?
The canonical SMILES for N,N-dimethyl-5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazol-3-amine is CN(C)c1nsc(-c2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nn2)n1.
What is the InChIKey of N,N-dimethyl-5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazol-3-amine?
The InChIKey is CYPDGFVVZVUJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N7S/c1-27(2)18-23-17(30-26-18)15-6-7-16(25-24-15)29-10-8-28(9-11-29)14-5-3-4-13(12-14)19(20,21)22/h3-7,12H,8-11H2,1-2H3.
What are the key properties of N,N-dimethyl-5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazol-3-amine?
N,N-dimethyl-5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazol-3-amine has a molecular weight of 435.48 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-yl]-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 19608312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).