N-[2-[9-(oxetan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-phenoxy-3-(trifluoromethyl)phenyl]-2-pyridazin-4-yl-1,3-thiazole-4-carboxamide

C32H31F3N6O4S — CID 156788148

IUPACN-[2-[9-(oxetan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-phenoxy-3-(trifluoromethyl)phenyl]-2-pyridazin-4-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)c(C(F)(F)F)c1N1CCOC2(CCN(C3COC3)CC2)C1)c1csc(-c2ccnnc2)n1
InChIInChI=1S/C32H31F3N6O4S/c33-32(34,35)27-26(45-23-4-2-1-3-5-23)7-6-24(38-29(42)25-19-46-30(39-25)21-8-11-36-37-16-21)28(27)41-14-15-44-31(20-41)9-12-40(13-10-31)22-17-43-18-22/h1-8,11,16,19,22H,9-10,12-15,17-18,20H2,(H,38,42)
InChIKeyUVCZXFUTNOFBSG-UHFFFAOYSA-N
MW652.70 g/mol
LogP5.73
Rot. Bonds7

About N-[2-[9-(oxetan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-phenoxy-3-(trifluoromethyl)phenyl]-2-pyridazin-4-yl-1,3-thiazole-4-carboxamide

N-[2-[9-(oxetan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-phenoxy-3-(trifluoromethyl)phenyl]-2-pyridazin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 156788148) has the molecular formula C32H31F3N6O4S and a molecular weight of 652.70 g/mol. Its IUPAC name is N-[2-[9-(oxetan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-phenoxy-3-(trifluoromethyl)phenyl]-2-pyridazin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[9-(oxetan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-phenoxy-3-(trifluoromethyl)phenyl]-2-pyridazin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID156788148
Molecular FormulaC32H31F3N6O4S
Molecular Weight652.70 g/mol
Exact Mass652.21
IUPAC NameN-[2-[9-(oxetan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-phenoxy-3-(trifluoromethyl)phenyl]-2-pyridazin-4-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)c(C(F)(F)F)c1N1CCOC2(CCN(C3COC3)CC2)C1)c1csc(-c2ccnnc2)n1
InChIInChI=1S/C32H31F3N6O4S/c33-32(34,35)27-26(45-23-4-2-1-3-5-23)7-6-24(38-29(42)25-19-46-30(39-25)21-8-11-36-37-16-21)28(27)41-14-15-44-31(20-41)9-12-40(13-10-31)22-17-43-18-22/h1-8,11,16,19,22H,9-10,12-15,17-18,20H2,(H,38,42)
InChIKeyUVCZXFUTNOFBSG-UHFFFAOYSA-N
XLogP5.73
TPSA101.94 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.70
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[2-[9-(oxetan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-phenoxy-3-(trifluoromethyl)phenyl]-2-pyridazin-4-yl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

Dgk|AE-IN-1
CID 156540667
US12227517, Example 34
CID 156540662
US12227517, Example 10
CID 156540670
US12227517, Example 33
CID 156788139
US12227517, Example 32
CID 156788140
US12227517, Example 63
CID 156788144
US12227517, Example 11
CID 156788152
US12227517, Example 1
CID 156788156
US12227517, Example 80
CID 156788160
US12227517, Example 49
CID 156788161
US12227517, Example 54
CID 156788172
US12227517, Example 12
CID 156788174

Frequently Asked Questions

What is the IUPAC name of N-[2-[9-(oxetan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-phenoxy-3-(trifluoromethyl)phenyl]-2-pyridazin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[9-(oxetan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-phenoxy-3-(trifluoromethyl)phenyl]-2-pyridazin-4-yl-1,3-thiazole-4-carboxamide (CID 156788148) is N-[2-[9-(oxetan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-phenoxy-3-(trifluoromethyl)phenyl]-2-pyridazin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[9-(oxetan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-phenoxy-3-(trifluoromethyl)phenyl]-2-pyridazin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[9-(oxetan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-phenoxy-3-(trifluoromethyl)phenyl]-2-pyridazin-4-yl-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(Oc2ccccc2)c(C(F)(F)F)c1N1CCOC2(CCN(C3COC3)CC2)C1)c1csc(-c2ccnnc2)n1.
What is the InChIKey of N-[2-[9-(oxetan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-phenoxy-3-(trifluoromethyl)phenyl]-2-pyridazin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is UVCZXFUTNOFBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F3N6O4S/c33-32(34,35)27-26(45-23-4-2-1-3-5-23)7-6-24(38-29(42)25-19-46-30(39-25)21-8-11-36-37-16-21)28(27)41-14-15-44-31(20-41)9-12-40(13-10-31)22-17-43-18-22/h1-8,11,16,19,22H,9-10,12-15,17-18,20H2,(H,38,42).
What are the key properties of N-[2-[9-(oxetan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-phenoxy-3-(trifluoromethyl)phenyl]-2-pyridazin-4-yl-1,3-thiazole-4-carboxamide?
N-[2-[9-(oxetan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-phenoxy-3-(trifluoromethyl)phenyl]-2-pyridazin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 652.70 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[9-(oxetan-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-phenoxy-3-(trifluoromethyl)phenyl]-2-pyridazin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 156788148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).