N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide

C19H19N5O2S2 — CID 121071795

IUPACN-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1onc2c1CSC2)C1CCN(c2ccc(-c3cccs3)nn2)CC1
InChIInChI=1S/C19H19N5O2S2/c25-18(20-19-13-10-27-11-15(13)23-26-19)12-5-7-24(8-6-12)17-4-3-14(21-22-17)16-2-1-9-28-16/h1-4,9,12H,5-8,10-11H2,(H,20,25)
InChIKeyCAJCXXMYWFHPON-UHFFFAOYSA-N
MW413.53 g/mol
LogP3.80
Rot. Bonds4

About N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide

N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 121071795) has the molecular formula C19H19N5O2S2 and a molecular weight of 413.53 g/mol. Its IUPAC name is N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID121071795
Molecular FormulaC19H19N5O2S2
Molecular Weight413.53 g/mol
Exact Mass413.10
IUPAC NameN-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1onc2c1CSC2)C1CCN(c2ccc(-c3cccs3)nn2)CC1
InChIInChI=1S/C19H19N5O2S2/c25-18(20-19-13-10-27-11-15(13)23-26-19)12-5-7-24(8-6-12)17-4-3-14(21-22-17)16-2-1-9-28-16/h1-4,9,12H,5-8,10-11H2,(H,20,25)
InChIKeyCAJCXXMYWFHPON-UHFFFAOYSA-N
XLogP3.80
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514343
N-(3,5-dimethylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947260
N-(4-methyl-2-pyridinyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947252
N-(4-nitrophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364097
N-(3-chlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947206
N-(2,3-dimethylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947220
N-(2,5-dichlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364155
N-[(4-chlorophenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947209
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 46340074
N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520133
N-[(3-methylphenyl)methyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947338
N-[4-(2-acetamidoethoxy)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 121071786

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 121071795) is N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide is O=C(Nc1onc2c1CSC2)C1CCN(c2ccc(-c3cccs3)nn2)CC1.
What is the InChIKey of N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is CAJCXXMYWFHPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S2/c25-18(20-19-13-10-27-11-15(13)23-26-19)12-5-7-24(8-6-12)17-4-3-14(21-22-17)16-2-1-9-28-16/h1-4,9,12H,5-8,10-11H2,(H,20,25).
What are the key properties of N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 413.53 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 121071795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).