N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide

C21H20N6OS — CID 68558300

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide
SMILESCc1nnc(NC(=O)c2ccc(N3CCC4(C=Cc5ccccc54)CC3)nn2)s1
InChIInChI=1S/C21H20N6OS/c1-14-23-26-20(29-14)22-19(28)17-6-7-18(25-24-17)27-12-10-21(11-13-27)9-8-15-4-2-3-5-16(15)21/h2-9H,10-13H2,1H3,(H,22,26,28)
InChIKeyAHIZMUYXCFIGPZ-UHFFFAOYSA-N
MW404.50 g/mol
LogP3.45
Rot. Bonds3

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide (PubChem CID 68558300) has the molecular formula C21H20N6OS and a molecular weight of 404.50 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide
PubChem CID68558300
Molecular FormulaC21H20N6OS
Molecular Weight404.50 g/mol
Exact Mass404.14
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide
SMILESCc1nnc(NC(=O)c2ccc(N3CCC4(C=Cc5ccccc54)CC3)nn2)s1
InChIInChI=1S/C21H20N6OS/c1-14-23-26-20(29-14)22-19(28)17-6-7-18(25-24-17)27-12-10-21(11-13-27)9-8-15-4-2-3-5-16(15)21/h2-9H,10-13H2,1H3,(H,22,26,28)
InChIKeyAHIZMUYXCFIGPZ-UHFFFAOYSA-N
XLogP3.45
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide (CID 68558300) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide is Cc1nnc(NC(=O)c2ccc(N3CCC4(C=Cc5ccccc54)CC3)nn2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide?
The InChIKey is AHIZMUYXCFIGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6OS/c1-14-23-26-20(29-14)22-19(28)17-6-7-18(25-24-17)27-12-10-21(11-13-27)9-8-15-4-2-3-5-16(15)21/h2-9H,10-13H2,1H3,(H,22,26,28).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide has a molecular weight of 404.50 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide is sourced from PubChem (CID 68558300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).