N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

C23H24N8OS — CID 24663592

IUPACN-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)C1CCN(c2ccc3nnnn3n2)CC1
InChIInChI=1S/C23H24N8OS/c32-22(16-9-11-30(12-10-16)21-8-7-20-26-28-29-31(20)27-21)25-23-24-19(14-33-23)18-6-5-15-3-1-2-4-17(15)13-18/h5-8,13-14,16H,1-4,9-12H2,(H,24,25,32)
InChIKeyLLOSHNHVDYSPCM-UHFFFAOYSA-N
MW460.57 g/mol
LogP3.38
Rot. Bonds4

About N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 24663592) has the molecular formula C23H24N8OS and a molecular weight of 460.57 g/mol. Its IUPAC name is N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
PubChem CID24663592
Molecular FormulaC23H24N8OS
Molecular Weight460.57 g/mol
Exact Mass460.18
IUPAC NameN-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)C1CCN(c2ccc3nnnn3n2)CC1
InChIInChI=1S/C23H24N8OS/c32-22(16-9-11-30(12-10-16)21-8-7-20-26-28-29-31(20)27-21)25-23-24-19(14-33-23)18-6-5-15-3-1-2-4-17(15)13-18/h5-8,13-14,16H,1-4,9-12H2,(H,24,25,32)
InChIKeyLLOSHNHVDYSPCM-UHFFFAOYSA-N
XLogP3.38
TPSA101.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 4677452
N-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 167759639
(1S,5R)-9-oxo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 8780774
1-methylsulfonyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 43049397
(2S)-1-methylsulfonyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 27376259
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 30876196
1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-(2-thiophen-2-ylpropan-2-yl)piperidine-4-carboxamide
CID 136526259
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 4142849
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 32869701
2-amino-2-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 119264633
1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
CID 24666682
phenyl N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate
CID 19227173

Frequently Asked Questions

What is the IUPAC name of N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 24663592) is N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)C1CCN(c2ccc3nnnn3n2)CC1.
What is the InChIKey of N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The InChIKey is LLOSHNHVDYSPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8OS/c32-22(16-9-11-30(12-10-16)21-8-7-20-26-28-29-31(20)27-21)25-23-24-19(14-33-23)18-6-5-15-3-1-2-4-17(15)13-18/h5-8,13-14,16H,1-4,9-12H2,(H,24,25,32).
What are the key properties of N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 460.57 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 24663592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).